----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:55:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.571035590371206 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): *1 Sr 0.24999514796766 0.58645869506436 0.88514824010929 87.620 2 Sr 0.75000485203234 0.08645869506436 0.61485175989071 87.620 3 Sr 0.75000485203234 0.41354130493564 0.11485175989071 87.620 4 Sr 0.24999514796766 0.91354130493564 0.38514824010929 87.620 *5 Ga 0.93321075751173 0.07640527293389 0.23412565484085 69.723 6 Ga 0.06678924248827 0.57640527293389 0.26587434515915 69.723 7 Ga 0.06678924248827 0.92359472706611 0.76587434515915 69.723 8 Ga 0.93321075751173 0.42359472706611 0.73412565484085 69.723 *9 Ga 0.56857218762594 0.80705857702486 0.05390119150299 69.723 10 Ga 0.43142781237406 0.30705857702486 0.44609880849701 69.723 11 Ga 0.43142781237406 0.19294142297514 0.94609880849701 69.723 12 Ga 0.56857218762594 0.69294142297514 0.55390119150299 69.723 *13 Ge 0.56164596953473 0.07994500594274 0.24261374592298 72.640 14 Ge 0.43835403046527 0.57994500594274 0.25738625407702 72.640 15 Ge 0.43835403046527 0.92005499405726 0.75738625407702 72.640 16 Ge 0.56164596953473 0.42005499405726 0.74261374592298 72.640 *17 Ge 0.94115911033019 0.80169753065232 0.05835624574775 72.640 18 Ge 0.05884088966981 0.30169753065232 0.44164375425225 72.640 19 Ge 0.05884088966981 0.19830246934768 0.94164375425225 72.640 20 Ge 0.94115911033019 0.69830246934768 0.55835624574775 72.640 *21 O 0.02226816272294 0.90872263661385 0.19498450832334 15.999 22 O 0.97773183727706 0.40872263661385 0.30501549167666 15.999 23 O 0.97773183727706 0.09127736338615 0.80501549167666 15.999 24 O 0.02226816272294 0.59127736338615 0.69498450832334 15.999 *25 O 0.48031942547690 0.92102348197388 0.19169109659916 15.999 26 O 0.51968057452310 0.42102348197388 0.30830890340084 15.999 27 O 0.51968057452310 0.07897651802612 0.80830890340084 15.999 28 O 0.48031942547690 0.57897651802612 0.69169109659916 15.999 *29 O 0.93137951052514 0.62902334040510 0.11770906957570 15.999 30 O 0.06862048947487 0.12902334040510 0.38229093042430 15.999 31 O 0.06862048947487 0.37097665959490 0.88229093042430 15.999 32 O 0.93137951052514 0.87097665959490 0.61770906957570 15.999 *33 O 0.56780518868482 0.62662978045888 0.11776726961719 15.999 34 O 0.43219481131518 0.12662978045888 0.38223273038281 15.999 35 O 0.43219481131518 0.37337021954112 0.88223273038281 15.999 36 O 0.56780518868482 0.87337021954112 0.61776726961719 15.999 *37 O 0.07592350170449 0.80008248639391 0.91539492201380 15.999 38 O 0.92407649829551 0.30008248639391 0.58460507798620 15.999 39 O 0.92407649829551 0.19991751360609 0.08460507798620 15.999 40 O 0.07592350170449 0.69991751360609 0.41539492201380 15.999 *41 O 0.42939508603905 0.80124106364030 0.90001888195235 15.999 42 O 0.57060491396096 0.30124106364030 0.59998111804765 15.999 43 O 0.57060491396096 0.19875893635970 0.09998111804765 15.999 44 O 0.42939508603905 0.69875893635970 0.40001888195235 15.999 *45 O 0.76118592635632 0.86912043216641 0.00472146373603 15.999 46 O 0.23881407364367 0.36912043216641 0.49527853626397 15.999 47 O 0.23881407364367 0.13087956783359 0.99527853626397 15.999 48 O 0.76118592635632 0.63087956783359 0.50472146373603 15.999 *49 O 0.74525414400483 0.07475865650294 0.33067518236961 15.999 50 O 0.25474585599517 0.57475865650294 0.16932481763039 15.999 51 O 0.25474585599517 0.92524134349706 0.66932481763039 15.999 52 O 0.74525414400483 0.42524134349706 0.83067518236961 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.571035590371206 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): *1 Sr 0.24999514796766 0.58645869506436 0.88514824010929 87.620 > 1 2 Sr 0.75000485203234 0.08645869506436 0.61485175989071 87.620 > 2 3 Sr 0.75000485203234 0.41354130493564 0.11485175989071 87.620 > 3 4 Sr 0.24999514796766 0.91354130493564 0.38514824010929 87.620 > 4 *5 Ga 0.93321075751173 0.07640527293389 0.23412565484085 69.723 > 5 6 Ga 0.06678924248827 0.57640527293389 0.26587434515915 69.723 > 6 7 Ga 0.06678924248827 0.92359472706611 0.76587434515915 69.723 > 7 8 Ga 0.93321075751173 0.42359472706611 0.73412565484085 69.723 > 8 *9 Ga 0.56857218762594 0.80705857702486 0.05390119150299 69.723 > 9 10 Ga 0.43142781237406 0.30705857702486 0.44609880849701 69.723 > 10 11 Ga 0.43142781237406 0.19294142297514 0.94609880849701 69.723 > 11 12 Ga 0.56857218762594 0.69294142297514 0.55390119150299 69.723 > 12 *13 Ge 0.56164596953473 0.07994500594274 0.24261374592298 72.640 > 13 14 Ge 0.43835403046527 0.57994500594274 0.25738625407702 72.640 > 14 15 Ge 0.43835403046527 0.92005499405726 0.75738625407702 72.640 > 15 16 Ge 0.56164596953473 0.42005499405726 0.74261374592298 72.640 > 16 *17 Ge 0.94115911033019 0.80169753065232 0.05835624574775 72.640 > 17 18 Ge 0.05884088966981 0.30169753065232 0.44164375425225 72.640 > 18 19 Ge 0.05884088966981 0.19830246934768 0.94164375425225 72.640 > 19 20 Ge 0.94115911033019 0.69830246934768 0.55835624574775 72.640 > 20 *21 O 0.02226816272294 0.90872263661385 0.19498450832334 15.999 > 21 22 O 0.97773183727706 0.40872263661385 0.30501549167666 15.999 > 22 23 O 0.97773183727706 0.09127736338615 0.80501549167666 15.999 > 23 24 O 0.02226816272294 0.59127736338615 0.69498450832334 15.999 > 24 *25 O 0.48031942547690 0.92102348197388 0.19169109659916 15.999 > 25 26 O 0.51968057452310 0.42102348197388 0.30830890340084 15.999 > 26 27 O 0.51968057452310 0.07897651802612 0.80830890340084 15.999 > 27 28 O 0.48031942547690 0.57897651802612 0.69169109659916 15.999 > 28 *29 O 0.93137951052514 0.62902334040510 0.11770906957570 15.999 > 29 30 O 0.06862048947487 0.12902334040510 0.38229093042430 15.999 > 30 31 O 0.06862048947487 0.37097665959490 0.88229093042430 15.999 > 31 32 O 0.93137951052514 0.87097665959490 0.61770906957570 15.999 > 32 *33 O 0.56780518868482 0.62662978045888 0.11776726961719 15.999 > 33 34 O 0.43219481131518 0.12662978045888 0.38223273038281 15.999 > 34 35 O 0.43219481131518 0.37337021954112 0.88223273038281 15.999 > 35 36 O 0.56780518868482 0.87337021954112 0.61776726961719 15.999 > 36 *37 O 0.07592350170449 0.80008248639391 0.91539492201380 15.999 > 37 38 O 0.92407649829551 0.30008248639391 0.58460507798620 15.999 > 38 39 O 0.92407649829551 0.19991751360609 0.08460507798620 15.999 > 39 40 O 0.07592350170449 0.69991751360609 0.41539492201380 15.999 > 40 *41 O 0.42939508603905 0.80124106364030 0.90001888195235 15.999 > 41 42 O 0.57060491396096 0.30124106364030 0.59998111804765 15.999 > 42 43 O 0.57060491396096 0.19875893635970 0.09998111804765 15.999 > 43 44 O 0.42939508603905 0.69875893635970 0.40001888195235 15.999 > 44 *45 O 0.76118592635632 0.86912043216641 0.00472146373603 15.999 > 45 46 O 0.23881407364367 0.36912043216641 0.49527853626397 15.999 > 46 47 O 0.23881407364367 0.13087956783359 0.99527853626397 15.999 > 47 48 O 0.76118592635632 0.63087956783359 0.50472146373603 15.999 > 48 *49 O 0.74525414400483 0.07475865650294 0.33067518236961 15.999 > 49 50 O 0.25474585599517 0.57475865650294 0.16932481763039 15.999 > 50 51 O 0.25474585599517 0.92524134349706 0.66932481763039 15.999 > 51 52 O 0.74525414400483 0.42524134349706 0.83067518236961 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.142071180742413 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): *1 Sr 0.12499757398383 0.58645869506436 0.88514824010929 87.620 > 1 2 Sr 0.62499757398383 0.58645869506436 0.88514824010929 87.620 > 1 3 Sr 0.37500242601617 0.08645869506436 0.61485175989071 87.620 > 2 4 Sr 0.87500242601617 0.08645869506436 0.61485175989071 87.620 > 2 5 Sr 0.37500242601617 0.41354130493564 0.11485175989071 87.620 > 3 6 Sr 0.87500242601617 0.41354130493564 0.11485175989071 87.620 > 3 7 Sr 0.12499757398383 0.91354130493564 0.38514824010929 87.620 > 4 8 Sr 0.62499757398383 0.91354130493564 0.38514824010929 87.620 > 4 *9 Ga 0.46660537875587 0.07640527293389 0.23412565484085 69.723 > 5 10 Ga 0.96660537875587 0.07640527293389 0.23412565484085 69.723 > 5 11 Ga 0.03339462124413 0.57640527293389 0.26587434515915 69.723 > 6 12 Ga 0.53339462124413 0.57640527293389 0.26587434515915 69.723 > 6 13 Ga 0.03339462124413 0.92359472706611 0.76587434515915 69.723 > 7 14 Ga 0.53339462124413 0.92359472706611 0.76587434515915 69.723 > 7 15 Ga 0.46660537875587 0.42359472706611 0.73412565484085 69.723 > 8 16 Ga 0.96660537875587 0.42359472706611 0.73412565484085 69.723 > 8 *17 Ga 0.28428609381297 0.80705857702486 0.05390119150299 69.723 > 9 18 Ga 0.78428609381297 0.80705857702486 0.05390119150299 69.723 > 9 19 Ga 0.21571390618703 0.30705857702486 0.44609880849701 69.723 > 10 20 Ga 0.71571390618703 0.30705857702486 0.44609880849701 69.723 > 10 21 Ga 0.21571390618703 0.19294142297514 0.94609880849701 69.723 > 11 22 Ga 0.71571390618703 0.19294142297514 0.94609880849701 69.723 > 11 23 Ga 0.28428609381297 0.69294142297514 0.55390119150299 69.723 > 12 24 Ga 0.78428609381297 0.69294142297514 0.55390119150299 69.723 > 12 *25 Ge 0.28082298476737 0.07994500594274 0.24261374592298 72.640 > 13 26 Ge 0.78082298476737 0.07994500594274 0.24261374592298 72.640 > 13 27 Ge 0.21917701523263 0.57994500594274 0.25738625407702 72.640 > 14 28 Ge 0.71917701523263 0.57994500594274 0.25738625407702 72.640 > 14 29 Ge 0.21917701523263 0.92005499405726 0.75738625407702 72.640 > 15 30 Ge 0.71917701523263 0.92005499405726 0.75738625407702 72.640 > 15 31 Ge 0.28082298476737 0.42005499405726 0.74261374592298 72.640 > 16 32 Ge 0.78082298476737 0.42005499405726 0.74261374592298 72.640 > 16 *33 Ge 0.47057955516509 0.80169753065232 0.05835624574775 72.640 > 17 34 Ge 0.97057955516509 0.80169753065232 0.05835624574775 72.640 > 17 35 Ge 0.02942044483491 0.30169753065232 0.44164375425225 72.640 > 18 36 Ge 0.52942044483491 0.30169753065232 0.44164375425225 72.640 > 18 37 Ge 0.02942044483491 0.19830246934768 0.94164375425225 72.640 > 19 38 Ge 0.52942044483491 0.19830246934768 0.94164375425225 72.640 > 19 39 Ge 0.47057955516509 0.69830246934768 0.55835624574775 72.640 > 20 40 Ge 0.97057955516509 0.69830246934768 0.55835624574775 72.640 > 20 *41 O 0.01113408136147 0.90872263661385 0.19498450832334 15.999 > 21 42 O 0.51113408136147 0.90872263661385 0.19498450832334 15.999 > 21 43 O 0.48886591863853 0.40872263661385 0.30501549167666 15.999 > 22 44 O 0.98886591863853 0.40872263661385 0.30501549167666 15.999 > 22 45 O 0.48886591863853 0.09127736338615 0.80501549167666 15.999 > 23 46 O 0.98886591863853 0.09127736338615 0.80501549167666 15.999 > 23 47 O 0.01113408136147 0.59127736338615 0.69498450832334 15.999 > 24 48 O 0.51113408136147 0.59127736338615 0.69498450832334 15.999 > 24 *49 O 0.24015971273845 0.92102348197388 0.19169109659916 15.999 > 25 50 O 0.74015971273845 0.92102348197388 0.19169109659916 15.999 > 25 51 O 0.25984028726155 0.42102348197388 0.30830890340084 15.999 > 26 52 O 0.75984028726155 0.42102348197388 0.30830890340084 15.999 > 26 53 O 0.25984028726155 0.07897651802612 0.80830890340084 15.999 > 27 54 O 0.75984028726155 0.07897651802612 0.80830890340084 15.999 > 27 55 O 0.24015971273845 0.57897651802612 0.69169109659916 15.999 > 28 56 O 0.74015971273845 0.57897651802612 0.69169109659916 15.999 > 28 *57 O 0.46568975526257 0.62902334040510 0.11770906957570 15.999 > 29 58 O 0.96568975526257 0.62902334040510 0.11770906957570 15.999 > 29 59 O 0.03431024473743 0.12902334040510 0.38229093042430 15.999 > 30 60 O 0.53431024473743 0.12902334040510 0.38229093042430 15.999 > 30 61 O 0.03431024473743 0.37097665959490 0.88229093042430 15.999 > 31 62 O 0.53431024473743 0.37097665959490 0.88229093042430 15.999 > 31 63 O 0.46568975526257 0.87097665959490 0.61770906957570 15.999 > 32 64 O 0.96568975526257 0.87097665959490 0.61770906957570 15.999 > 32 *65 O 0.28390259434241 0.62662978045888 0.11776726961719 15.999 > 33 66 O 0.78390259434241 0.62662978045888 0.11776726961719 15.999 > 33 67 O 0.21609740565759 0.12662978045888 0.38223273038281 15.999 > 34 68 O 0.71609740565759 0.12662978045888 0.38223273038281 15.999 > 34 69 O 0.21609740565759 0.37337021954112 0.88223273038281 15.999 > 35 70 O 0.71609740565759 0.37337021954112 0.88223273038281 15.999 > 35 71 O 0.28390259434241 0.87337021954112 0.61776726961719 15.999 > 36 72 O 0.78390259434241 0.87337021954112 0.61776726961719 15.999 > 36 *73 O 0.03796175085225 0.80008248639391 0.91539492201380 15.999 > 37 74 O 0.53796175085225 0.80008248639391 0.91539492201380 15.999 > 37 75 O 0.46203824914775 0.30008248639391 0.58460507798620 15.999 > 38 76 O 0.96203824914775 0.30008248639391 0.58460507798620 15.999 > 38 77 O 0.46203824914775 0.19991751360609 0.08460507798620 15.999 > 39 78 O 0.96203824914775 0.19991751360609 0.08460507798620 15.999 > 39 79 O 0.03796175085225 0.69991751360609 0.41539492201380 15.999 > 40 80 O 0.53796175085225 0.69991751360609 0.41539492201380 15.999 > 40 *81 O 0.21469754301952 0.80124106364030 0.90001888195235 15.999 > 41 82 O 0.71469754301952 0.80124106364030 0.90001888195235 15.999 > 41 83 O 0.28530245698048 0.30124106364030 0.59998111804765 15.999 > 42 84 O 0.78530245698048 0.30124106364030 0.59998111804765 15.999 > 42 85 O 0.28530245698048 0.19875893635970 0.09998111804765 15.999 > 43 86 O 0.78530245698048 0.19875893635970 0.09998111804765 15.999 > 43 87 O 0.21469754301952 0.69875893635970 0.40001888195235 15.999 > 44 88 O 0.71469754301952 0.69875893635970 0.40001888195235 15.999 > 44 *89 O 0.38059296317816 0.86912043216641 0.00472146373603 15.999 > 45 90 O 0.88059296317816 0.86912043216641 0.00472146373603 15.999 > 45 91 O 0.11940703682184 0.36912043216641 0.49527853626397 15.999 > 46 92 O 0.61940703682184 0.36912043216641 0.49527853626397 15.999 > 46 93 O 0.11940703682184 0.13087956783359 0.99527853626397 15.999 > 47 94 O 0.61940703682184 0.13087956783359 0.99527853626397 15.999 > 47 95 O 0.38059296317816 0.63087956783359 0.50472146373603 15.999 > 48 96 O 0.88059296317816 0.63087956783359 0.50472146373603 15.999 > 48 *97 O 0.37262707200242 0.07475865650294 0.33067518236961 15.999 > 49 98 O 0.87262707200242 0.07475865650294 0.33067518236961 15.999 > 49 99 O 0.12737292799758 0.57475865650294 0.16932481763039 15.999 > 50 100 O 0.62737292799758 0.57475865650294 0.16932481763039 15.999 > 50 101 O 0.12737292799758 0.92524134349706 0.66932481763039 15.999 > 51 102 O 0.62737292799758 0.92524134349706 0.66932481763039 15.999 > 51 103 O 0.37262707200242 0.42524134349706 0.83067518236961 15.999 > 52 104 O 0.87262707200242 0.42524134349706 0.83067518236961 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1000796 0.0000000 -0.0069505 0.0000000 3.1243682 0.0000000 -0.0069154 0.0000000 3.0496603 -------------------------- Born effective charges -------------------------- 1 Sr 2.8173810 -0.0684615 0.0317190 -0.0372919 2.8939763 0.2066587 -0.0012741 0.2554153 2.4638129 2 Sr 2.8173810 0.0684615 0.0317190 0.0372919 2.8939763 -0.2066587 -0.0012741 -0.2554153 2.4638129 3 Sr 2.8173810 -0.0684615 0.0317190 -0.0372919 2.8939763 0.2066587 -0.0012741 0.2554153 2.4638129 4 Sr 2.8173810 0.0684615 0.0317190 0.0372919 2.8939763 -0.2066587 -0.0012741 -0.2554153 2.4638129 5 Ga 2.6607411 0.2130565 -0.2625007 0.0251721 2.7118169 0.3465685 0.1309720 -0.0272498 2.7110568 6 Ga 2.6607411 -0.2130565 -0.2625007 -0.0251721 2.7118169 -0.3465685 0.1309720 0.0272498 2.7110568 7 Ga 2.6607411 0.2130565 -0.2625007 0.0251721 2.7118169 0.3465685 0.1309720 -0.0272498 2.7110568 8 Ga 2.6607411 -0.2130565 -0.2625007 -0.0251721 2.7118169 -0.3465685 0.1309720 0.0272498 2.7110568 9 Ga 2.7527059 0.4247786 0.0120728 -0.2898533 2.7680735 0.1010791 0.3400612 -0.2040278 2.7057944 10 Ga 2.7527059 -0.4247786 0.0120728 0.2898533 2.7680735 -0.1010791 0.3400612 0.2040278 2.7057944 11 Ga 2.7527059 0.4247786 0.0120728 -0.2898533 2.7680735 0.1010791 0.3400612 -0.2040278 2.7057944 12 Ga 2.7527059 -0.4247786 0.0120728 0.2898533 2.7680735 -0.1010791 0.3400612 0.2040278 2.7057944 13 Ge 3.0530631 -0.2169013 0.1972572 0.0173302 2.9914443 0.3345400 -0.1873200 -0.0749632 3.0779777 14 Ge 3.0530631 0.2169013 0.1972572 -0.0173302 2.9914443 -0.3345400 -0.1873200 0.0749632 3.0779777 15 Ge 3.0530631 -0.2169013 0.1972572 0.0173302 2.9914443 0.3345400 -0.1873200 -0.0749632 3.0779777 16 Ge 3.0530631 0.2169013 0.1972572 -0.0173302 2.9914443 -0.3345400 -0.1873200 0.0749632 3.0779777 17 Ge 3.0471049 -0.4722809 -0.0171308 0.2885336 3.1673419 0.1159263 -0.4232924 -0.2286586 3.0500427 18 Ge 3.0471049 0.4722809 -0.0171308 -0.2885336 3.1673419 -0.1159263 -0.4232924 0.2286586 3.0500427 19 Ge 3.0471049 -0.4722809 -0.0171308 0.2885336 3.1673419 0.1159263 -0.4232924 -0.2286586 3.0500427 20 Ge 3.0471049 0.4722809 -0.0171308 -0.2885336 3.1673419 -0.1159263 -0.4232924 0.2286586 3.0500427 21 O -1.4222551 0.0341964 -0.3004470 0.0119426 -2.2241421 -0.6224980 -0.3458270 -0.4297987 -1.7124468 22 O -1.4222551 -0.0341964 -0.3004470 -0.0119426 -2.2241421 0.6224980 -0.3458270 0.4297987 -1.7124468 23 O -1.4222551 0.0341964 -0.3004470 0.0119426 -2.2241421 -0.6224980 -0.3458270 -0.4297987 -1.7124468 24 O -1.4222551 -0.0341964 -0.3004470 -0.0119426 -2.2241421 0.6224980 -0.3458270 0.4297987 -1.7124468 25 O -1.4131424 -0.0741084 0.2424584 -0.0993406 -2.2593024 -0.6033241 0.2574422 -0.4372903 -1.6161695 26 O -1.4131424 0.0741084 0.2424584 0.0993406 -2.2593024 0.6033241 0.2574422 0.4372903 -1.6161695 27 O -1.4131424 -0.0741084 0.2424584 -0.0993406 -2.2593024 -0.6033241 0.2574422 -0.4372903 -1.6161695 28 O -1.4131424 0.0741084 0.2424584 0.0993406 -2.2593024 0.6033241 0.2574422 0.4372903 -1.6161695 29 O -1.5472983 0.1380094 -0.3142697 0.0005472 -2.3136804 0.5304349 -0.2829552 0.5492532 -1.6701077 30 O -1.5472983 -0.1380094 -0.3142697 -0.0005472 -2.3136804 -0.5304349 -0.2829552 -0.5492532 -1.6701077 31 O -1.5472983 0.1380094 -0.3142697 0.0005472 -2.3136804 0.5304349 -0.2829552 0.5492532 -1.6701077 32 O -1.5472983 -0.1380094 -0.3142697 -0.0005472 -2.3136804 -0.5304349 -0.2829552 -0.5492532 -1.6701077 33 O -1.6334071 -0.1799610 0.4097598 -0.0826682 -2.1194586 0.5136755 0.4101687 0.4754716 -1.7377932 34 O -1.6334071 0.1799610 0.4097598 0.0826682 -2.1194586 -0.5136755 0.4101687 -0.4754716 -1.7377932 35 O -1.6334071 -0.1799610 0.4097598 -0.0826682 -2.1194586 0.5136755 0.4101687 0.4754716 -1.7377932 36 O -1.6334071 0.1799610 0.4097598 0.0826682 -2.1194586 -0.5136755 0.4101687 -0.4754716 -1.7377932 37 O -1.5586885 0.1139476 0.5573271 0.1123385 -1.6236962 0.2294334 0.6158312 0.3641014 -2.1964842 38 O -1.5586885 -0.1139476 0.5573271 -0.1123385 -1.6236962 -0.2294334 0.6158312 -0.3641014 -2.1964842 39 O -1.5586885 0.1139476 0.5573271 0.1123385 -1.6236962 0.2294334 0.6158312 0.3641014 -2.1964842 40 O -1.5586885 -0.1139476 0.5573271 -0.1123385 -1.6236962 -0.2294334 0.6158312 -0.3641014 -2.1964842 41 O -1.4778870 -0.0959276 -0.4398938 -0.1370839 -1.6973066 0.3025049 -0.4463883 0.4723864 -2.1847667 42 O -1.4778870 0.0959276 -0.4398938 0.1370839 -1.6973066 -0.3025049 -0.4463883 -0.4723864 -2.1847667 43 O -1.4778870 -0.0959276 -0.4398938 -0.1370839 -1.6973066 0.3025049 -0.4463883 0.4723864 -2.1847667 44 O -1.4778870 0.0959276 -0.4398938 0.1370839 -1.6973066 -0.3025049 -0.4463883 -0.4723864 -2.1847667 45 O -2.7215075 0.0788597 -0.0521096 0.0586497 -1.1856701 -0.0526544 -0.0223385 0.0777239 -1.1380727 46 O -2.7215075 -0.0788597 -0.0521096 -0.0586497 -1.1856701 0.0526544 -0.0223385 -0.0777239 -1.1380727 47 O -2.7215075 0.0788597 -0.0521096 0.0586497 -1.1856701 -0.0526544 -0.0223385 0.0777239 -1.1380727 48 O -2.7215075 -0.0788597 -0.0521096 -0.0586497 -1.1856701 0.0526544 -0.0223385 -0.0777239 -1.1380727 49 O -2.5568102 0.0134009 -0.0642428 0.0052682 -1.1093966 -0.0425099 -0.0450798 0.0233004 -1.7528437 50 O -2.5568102 -0.0134009 -0.0642428 -0.0052682 -1.1093966 0.0425099 -0.0450798 -0.0233004 -1.7528437 51 O -2.5568102 0.0134009 -0.0642428 0.0052682 -1.1093966 -0.0425099 -0.0450798 0.0233004 -1.7528437 52 O -2.5568102 -0.0134009 -0.0642428 -0.0052682 -1.1093966 0.0425099 -0.0450798 -0.0233004 -1.7528437 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 1600 - Time: 2.104 Solver_block: 200 / 1600 - Time: 1.937 Solver_block: 300 / 1600 - Time: 1.692 Solver_block: 400 / 1600 - Time: 1.745 Solver_block: 500 / 1600 - Time: 1.338 Solver_block: 600 / 1600 - Time: 1.377 Solver_block: 700 / 1600 - Time: 1.480 Solver_block: 800 / 1600 - Time: 1.772 Solver_block: 900 / 1600 - Time: 1.965 Solver_block: 1000 / 1600 - Time: 1.800 Solver_block: 1100 / 1600 - Time: 1.841 Solver_block: 1200 / 1600 - Time: 1.770 Solver_block: 1300 / 1600 - Time: 1.937 Solver_block: 1400 / 1600 - Time: 1.784 Solver_block: 1500 / 1600 - Time: 1.738 Solver_block: 1600 / 1600 - Time: 3.654 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 31.630 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:57:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.571035590371206 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): 1 Sr 0.24999514796766 0.58645869506436 0.88514824010929 87.620 2 Sr 0.75000485203234 0.08645869506436 0.61485175989071 87.620 3 Sr 0.75000485203234 0.41354130493564 0.11485175989071 87.620 4 Sr 0.24999514796766 0.91354130493564 0.38514824010929 87.620 5 Ga 0.93321075751173 0.07640527293389 0.23412565484085 69.723 6 Ga 0.06678924248827 0.57640527293389 0.26587434515915 69.723 7 Ga 0.06678924248827 0.92359472706611 0.76587434515915 69.723 8 Ga 0.93321075751173 0.42359472706611 0.73412565484085 69.723 9 Ga 0.56857218762594 0.80705857702486 0.05390119150299 69.723 10 Ga 0.43142781237406 0.30705857702486 0.44609880849701 69.723 11 Ga 0.43142781237406 0.19294142297514 0.94609880849701 69.723 12 Ga 0.56857218762594 0.69294142297514 0.55390119150299 69.723 13 Ge 0.56164596953473 0.07994500594274 0.24261374592298 72.640 14 Ge 0.43835403046527 0.57994500594274 0.25738625407702 72.640 15 Ge 0.43835403046527 0.92005499405726 0.75738625407702 72.640 16 Ge 0.56164596953473 0.42005499405726 0.74261374592298 72.640 17 Ge 0.94115911033019 0.80169753065232 0.05835624574775 72.640 18 Ge 0.05884088966981 0.30169753065232 0.44164375425225 72.640 19 Ge 0.05884088966981 0.19830246934768 0.94164375425225 72.640 20 Ge 0.94115911033019 0.69830246934768 0.55835624574775 72.640 21 O 0.02226816272294 0.90872263661385 0.19498450832334 15.999 22 O 0.97773183727706 0.40872263661385 0.30501549167666 15.999 23 O 0.97773183727706 0.09127736338615 0.80501549167666 15.999 24 O 0.02226816272294 0.59127736338615 0.69498450832334 15.999 25 O 0.48031942547690 0.92102348197388 0.19169109659916 15.999 26 O 0.51968057452310 0.42102348197388 0.30830890340084 15.999 27 O 0.51968057452310 0.07897651802612 0.80830890340084 15.999 28 O 0.48031942547690 0.57897651802612 0.69169109659916 15.999 29 O 0.93137951052514 0.62902334040510 0.11770906957570 15.999 30 O 0.06862048947487 0.12902334040510 0.38229093042430 15.999 31 O 0.06862048947487 0.37097665959490 0.88229093042430 15.999 32 O 0.93137951052514 0.87097665959490 0.61770906957570 15.999 33 O 0.56780518868482 0.62662978045888 0.11776726961719 15.999 34 O 0.43219481131518 0.12662978045888 0.38223273038281 15.999 35 O 0.43219481131518 0.37337021954112 0.88223273038281 15.999 36 O 0.56780518868482 0.87337021954112 0.61776726961719 15.999 37 O 0.07592350170449 0.80008248639391 0.91539492201380 15.999 38 O 0.92407649829551 0.30008248639391 0.58460507798620 15.999 39 O 0.92407649829551 0.19991751360609 0.08460507798620 15.999 40 O 0.07592350170449 0.69991751360609 0.41539492201380 15.999 41 O 0.42939508603905 0.80124106364030 0.90001888195235 15.999 42 O 0.57060491396096 0.30124106364030 0.59998111804765 15.999 43 O 0.57060491396096 0.19875893635970 0.09998111804765 15.999 44 O 0.42939508603905 0.69875893635970 0.40001888195235 15.999 45 O 0.76118592635632 0.86912043216641 0.00472146373603 15.999 46 O 0.23881407364367 0.36912043216641 0.49527853626397 15.999 47 O 0.23881407364367 0.13087956783359 0.99527853626397 15.999 48 O 0.76118592635632 0.63087956783359 0.50472146373603 15.999 49 O 0.74525414400483 0.07475865650294 0.33067518236961 15.999 50 O 0.25474585599517 0.57475865650294 0.16932481763039 15.999 51 O 0.25474585599517 0.92524134349706 0.66932481763039 15.999 52 O 0.74525414400483 0.42524134349706 0.83067518236961 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.142071180742413 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): 1 Sr 0.12499757398383 0.58645869506436 0.88514824010929 87.620 > 1 2 Sr 0.62499757398383 0.58645869506436 0.88514824010929 87.620 > 1 3 Sr 0.37500242601617 0.08645869506436 0.61485175989071 87.620 > 3 4 Sr 0.87500242601617 0.08645869506436 0.61485175989071 87.620 > 3 5 Sr 0.37500242601617 0.41354130493564 0.11485175989071 87.620 > 5 6 Sr 0.87500242601617 0.41354130493564 0.11485175989071 87.620 > 5 7 Sr 0.12499757398383 0.91354130493564 0.38514824010929 87.620 > 7 8 Sr 0.62499757398383 0.91354130493564 0.38514824010929 87.620 > 7 9 Ga 0.46660537875587 0.07640527293389 0.23412565484085 69.723 > 9 10 Ga 0.96660537875587 0.07640527293389 0.23412565484085 69.723 > 9 11 Ga 0.03339462124413 0.57640527293389 0.26587434515915 69.723 > 11 12 Ga 0.53339462124413 0.57640527293389 0.26587434515915 69.723 > 11 13 Ga 0.03339462124413 0.92359472706611 0.76587434515915 69.723 > 13 14 Ga 0.53339462124413 0.92359472706611 0.76587434515915 69.723 > 13 15 Ga 0.46660537875587 0.42359472706611 0.73412565484085 69.723 > 15 16 Ga 0.96660537875587 0.42359472706611 0.73412565484085 69.723 > 15 17 Ga 0.28428609381297 0.80705857702486 0.05390119150299 69.723 > 17 18 Ga 0.78428609381297 0.80705857702486 0.05390119150299 69.723 > 17 19 Ga 0.21571390618703 0.30705857702486 0.44609880849701 69.723 > 19 20 Ga 0.71571390618703 0.30705857702486 0.44609880849701 69.723 > 19 21 Ga 0.21571390618703 0.19294142297514 0.94609880849701 69.723 > 21 22 Ga 0.71571390618703 0.19294142297514 0.94609880849701 69.723 > 21 23 Ga 0.28428609381297 0.69294142297514 0.55390119150299 69.723 > 23 24 Ga 0.78428609381297 0.69294142297514 0.55390119150299 69.723 > 23 25 Ge 0.28082298476737 0.07994500594274 0.24261374592298 72.640 > 25 26 Ge 0.78082298476737 0.07994500594274 0.24261374592298 72.640 > 25 27 Ge 0.21917701523263 0.57994500594274 0.25738625407702 72.640 > 27 28 Ge 0.71917701523263 0.57994500594274 0.25738625407702 72.640 > 27 29 Ge 0.21917701523263 0.92005499405726 0.75738625407702 72.640 > 29 30 Ge 0.71917701523263 0.92005499405726 0.75738625407702 72.640 > 29 31 Ge 0.28082298476737 0.42005499405726 0.74261374592298 72.640 > 31 32 Ge 0.78082298476737 0.42005499405726 0.74261374592298 72.640 > 31 33 Ge 0.47057955516509 0.80169753065232 0.05835624574775 72.640 > 33 34 Ge 0.97057955516509 0.80169753065232 0.05835624574775 72.640 > 33 35 Ge 0.02942044483491 0.30169753065232 0.44164375425225 72.640 > 35 36 Ge 0.52942044483491 0.30169753065232 0.44164375425225 72.640 > 35 37 Ge 0.02942044483491 0.19830246934768 0.94164375425225 72.640 > 37 38 Ge 0.52942044483491 0.19830246934768 0.94164375425225 72.640 > 37 39 Ge 0.47057955516509 0.69830246934768 0.55835624574775 72.640 > 39 40 Ge 0.97057955516509 0.69830246934768 0.55835624574775 72.640 > 39 41 O 0.01113408136147 0.90872263661385 0.19498450832334 15.999 > 41 42 O 0.51113408136147 0.90872263661385 0.19498450832334 15.999 > 41 43 O 0.48886591863853 0.40872263661385 0.30501549167666 15.999 > 43 44 O 0.98886591863853 0.40872263661385 0.30501549167666 15.999 > 43 45 O 0.48886591863853 0.09127736338615 0.80501549167666 15.999 > 45 46 O 0.98886591863853 0.09127736338615 0.80501549167666 15.999 > 45 47 O 0.01113408136147 0.59127736338615 0.69498450832334 15.999 > 47 48 O 0.51113408136147 0.59127736338615 0.69498450832334 15.999 > 47 49 O 0.24015971273845 0.92102348197388 0.19169109659916 15.999 > 49 50 O 0.74015971273845 0.92102348197388 0.19169109659916 15.999 > 49 51 O 0.25984028726155 0.42102348197388 0.30830890340084 15.999 > 51 52 O 0.75984028726155 0.42102348197388 0.30830890340084 15.999 > 51 53 O 0.25984028726155 0.07897651802612 0.80830890340084 15.999 > 53 54 O 0.75984028726155 0.07897651802612 0.80830890340084 15.999 > 53 55 O 0.24015971273845 0.57897651802612 0.69169109659916 15.999 > 55 56 O 0.74015971273845 0.57897651802612 0.69169109659916 15.999 > 55 57 O 0.46568975526257 0.62902334040510 0.11770906957570 15.999 > 57 58 O 0.96568975526257 0.62902334040510 0.11770906957570 15.999 > 57 59 O 0.03431024473743 0.12902334040510 0.38229093042430 15.999 > 59 60 O 0.53431024473743 0.12902334040510 0.38229093042430 15.999 > 59 61 O 0.03431024473743 0.37097665959490 0.88229093042430 15.999 > 61 62 O 0.53431024473743 0.37097665959490 0.88229093042430 15.999 > 61 63 O 0.46568975526257 0.87097665959490 0.61770906957570 15.999 > 63 64 O 0.96568975526257 0.87097665959490 0.61770906957570 15.999 > 63 65 O 0.28390259434241 0.62662978045888 0.11776726961719 15.999 > 65 66 O 0.78390259434241 0.62662978045888 0.11776726961719 15.999 > 65 67 O 0.21609740565759 0.12662978045888 0.38223273038281 15.999 > 67 68 O 0.71609740565759 0.12662978045888 0.38223273038281 15.999 > 67 69 O 0.21609740565759 0.37337021954112 0.88223273038281 15.999 > 69 70 O 0.71609740565759 0.37337021954112 0.88223273038281 15.999 > 69 71 O 0.28390259434241 0.87337021954112 0.61776726961719 15.999 > 71 72 O 0.78390259434241 0.87337021954112 0.61776726961719 15.999 > 71 73 O 0.03796175085225 0.80008248639391 0.91539492201380 15.999 > 73 74 O 0.53796175085225 0.80008248639391 0.91539492201380 15.999 > 73 75 O 0.46203824914775 0.30008248639391 0.58460507798620 15.999 > 75 76 O 0.96203824914775 0.30008248639391 0.58460507798620 15.999 > 75 77 O 0.46203824914775 0.19991751360609 0.08460507798620 15.999 > 77 78 O 0.96203824914775 0.19991751360609 0.08460507798620 15.999 > 77 79 O 0.03796175085225 0.69991751360609 0.41539492201380 15.999 > 79 80 O 0.53796175085225 0.69991751360609 0.41539492201380 15.999 > 79 81 O 0.21469754301952 0.80124106364030 0.90001888195235 15.999 > 81 82 O 0.71469754301952 0.80124106364030 0.90001888195235 15.999 > 81 83 O 0.28530245698048 0.30124106364030 0.59998111804765 15.999 > 83 84 O 0.78530245698048 0.30124106364030 0.59998111804765 15.999 > 83 85 O 0.28530245698048 0.19875893635970 0.09998111804765 15.999 > 85 86 O 0.78530245698048 0.19875893635970 0.09998111804765 15.999 > 85 87 O 0.21469754301952 0.69875893635970 0.40001888195235 15.999 > 87 88 O 0.71469754301952 0.69875893635970 0.40001888195235 15.999 > 87 89 O 0.38059296317816 0.86912043216641 0.00472146373603 15.999 > 89 90 O 0.88059296317816 0.86912043216641 0.00472146373603 15.999 > 89 91 O 0.11940703682184 0.36912043216641 0.49527853626397 15.999 > 91 92 O 0.61940703682184 0.36912043216641 0.49527853626397 15.999 > 91 93 O 0.11940703682184 0.13087956783359 0.99527853626397 15.999 > 93 94 O 0.61940703682184 0.13087956783359 0.99527853626397 15.999 > 93 95 O 0.38059296317816 0.63087956783359 0.50472146373603 15.999 > 95 96 O 0.88059296317816 0.63087956783359 0.50472146373603 15.999 > 95 97 O 0.37262707200242 0.07475865650294 0.33067518236961 15.999 > 97 98 O 0.87262707200242 0.07475865650294 0.33067518236961 15.999 > 97 99 O 0.12737292799758 0.57475865650294 0.16932481763039 15.999 > 99 100 O 0.62737292799758 0.57475865650294 0.16932481763039 15.999 > 99 101 O 0.12737292799758 0.92524134349706 0.66932481763039 15.999 > 101 102 O 0.62737292799758 0.92524134349706 0.66932481763039 15.999 > 101 103 O 0.37262707200242 0.42524134349706 0.83067518236961 15.999 > 103 104 O 0.87262707200242 0.42524134349706 0.83067518236961 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1000796 0.0000000 -0.0069505 0.0000000 3.1243682 0.0000000 -0.0069154 0.0000000 3.0496603 -------------------------- Born effective charges -------------------------- 1 Sr 2.8173810 -0.0684615 0.0317190 -0.0372919 2.8939763 0.2066587 -0.0012741 0.2554153 2.4638129 2 Sr 2.8173810 0.0684615 0.0317190 0.0372919 2.8939763 -0.2066587 -0.0012741 -0.2554153 2.4638129 3 Sr 2.8173810 -0.0684615 0.0317190 -0.0372919 2.8939763 0.2066587 -0.0012741 0.2554153 2.4638129 4 Sr 2.8173810 0.0684615 0.0317190 0.0372919 2.8939763 -0.2066587 -0.0012741 -0.2554153 2.4638129 5 Ga 2.6607411 0.2130565 -0.2625007 0.0251721 2.7118169 0.3465685 0.1309720 -0.0272498 2.7110568 6 Ga 2.6607411 -0.2130565 -0.2625007 -0.0251721 2.7118169 -0.3465685 0.1309720 0.0272498 2.7110568 7 Ga 2.6607411 0.2130565 -0.2625007 0.0251721 2.7118169 0.3465685 0.1309720 -0.0272498 2.7110568 8 Ga 2.6607411 -0.2130565 -0.2625007 -0.0251721 2.7118169 -0.3465685 0.1309720 0.0272498 2.7110568 9 Ga 2.7527059 0.4247786 0.0120728 -0.2898533 2.7680735 0.1010791 0.3400612 -0.2040278 2.7057944 10 Ga 2.7527059 -0.4247786 0.0120728 0.2898533 2.7680735 -0.1010791 0.3400612 0.2040278 2.7057944 11 Ga 2.7527059 0.4247786 0.0120728 -0.2898533 2.7680735 0.1010791 0.3400612 -0.2040278 2.7057944 12 Ga 2.7527059 -0.4247786 0.0120728 0.2898533 2.7680735 -0.1010791 0.3400612 0.2040278 2.7057944 13 Ge 3.0530631 -0.2169013 0.1972572 0.0173302 2.9914443 0.3345400 -0.1873200 -0.0749632 3.0779777 14 Ge 3.0530631 0.2169013 0.1972572 -0.0173302 2.9914443 -0.3345400 -0.1873200 0.0749632 3.0779777 15 Ge 3.0530631 -0.2169013 0.1972572 0.0173302 2.9914443 0.3345400 -0.1873200 -0.0749632 3.0779777 16 Ge 3.0530631 0.2169013 0.1972572 -0.0173302 2.9914443 -0.3345400 -0.1873200 0.0749632 3.0779777 17 Ge 3.0471049 -0.4722809 -0.0171308 0.2885336 3.1673419 0.1159263 -0.4232924 -0.2286586 3.0500427 18 Ge 3.0471049 0.4722809 -0.0171308 -0.2885336 3.1673419 -0.1159263 -0.4232924 0.2286586 3.0500427 19 Ge 3.0471049 -0.4722809 -0.0171308 0.2885336 3.1673419 0.1159263 -0.4232924 -0.2286586 3.0500427 20 Ge 3.0471049 0.4722809 -0.0171308 -0.2885336 3.1673419 -0.1159263 -0.4232924 0.2286586 3.0500427 21 O -1.4222551 0.0341964 -0.3004470 0.0119426 -2.2241421 -0.6224980 -0.3458270 -0.4297987 -1.7124468 22 O -1.4222551 -0.0341964 -0.3004470 -0.0119426 -2.2241421 0.6224980 -0.3458270 0.4297987 -1.7124468 23 O -1.4222551 0.0341964 -0.3004470 0.0119426 -2.2241421 -0.6224980 -0.3458270 -0.4297987 -1.7124468 24 O -1.4222551 -0.0341964 -0.3004470 -0.0119426 -2.2241421 0.6224980 -0.3458270 0.4297987 -1.7124468 25 O -1.4131424 -0.0741084 0.2424584 -0.0993406 -2.2593024 -0.6033241 0.2574422 -0.4372903 -1.6161695 26 O -1.4131424 0.0741084 0.2424584 0.0993406 -2.2593024 0.6033241 0.2574422 0.4372903 -1.6161695 27 O -1.4131424 -0.0741084 0.2424584 -0.0993406 -2.2593024 -0.6033241 0.2574422 -0.4372903 -1.6161695 28 O -1.4131424 0.0741084 0.2424584 0.0993406 -2.2593024 0.6033241 0.2574422 0.4372903 -1.6161695 29 O -1.5472983 0.1380094 -0.3142697 0.0005472 -2.3136804 0.5304349 -0.2829552 0.5492532 -1.6701077 30 O -1.5472983 -0.1380094 -0.3142697 -0.0005472 -2.3136804 -0.5304349 -0.2829552 -0.5492532 -1.6701077 31 O -1.5472983 0.1380094 -0.3142697 0.0005472 -2.3136804 0.5304349 -0.2829552 0.5492532 -1.6701077 32 O -1.5472983 -0.1380094 -0.3142697 -0.0005472 -2.3136804 -0.5304349 -0.2829552 -0.5492532 -1.6701077 33 O -1.6334071 -0.1799610 0.4097598 -0.0826682 -2.1194586 0.5136755 0.4101687 0.4754716 -1.7377932 34 O -1.6334071 0.1799610 0.4097598 0.0826682 -2.1194586 -0.5136755 0.4101687 -0.4754716 -1.7377932 35 O -1.6334071 -0.1799610 0.4097598 -0.0826682 -2.1194586 0.5136755 0.4101687 0.4754716 -1.7377932 36 O -1.6334071 0.1799610 0.4097598 0.0826682 -2.1194586 -0.5136755 0.4101687 -0.4754716 -1.7377932 37 O -1.5586885 0.1139476 0.5573271 0.1123385 -1.6236962 0.2294334 0.6158312 0.3641014 -2.1964842 38 O -1.5586885 -0.1139476 0.5573271 -0.1123385 -1.6236962 -0.2294334 0.6158312 -0.3641014 -2.1964842 39 O -1.5586885 0.1139476 0.5573271 0.1123385 -1.6236962 0.2294334 0.6158312 0.3641014 -2.1964842 40 O -1.5586885 -0.1139476 0.5573271 -0.1123385 -1.6236962 -0.2294334 0.6158312 -0.3641014 -2.1964842 41 O -1.4778870 -0.0959276 -0.4398938 -0.1370839 -1.6973066 0.3025049 -0.4463883 0.4723864 -2.1847667 42 O -1.4778870 0.0959276 -0.4398938 0.1370839 -1.6973066 -0.3025049 -0.4463883 -0.4723864 -2.1847667 43 O -1.4778870 -0.0959276 -0.4398938 -0.1370839 -1.6973066 0.3025049 -0.4463883 0.4723864 -2.1847667 44 O -1.4778870 0.0959276 -0.4398938 0.1370839 -1.6973066 -0.3025049 -0.4463883 -0.4723864 -2.1847667 45 O -2.7215075 0.0788597 -0.0521096 0.0586497 -1.1856701 -0.0526544 -0.0223385 0.0777239 -1.1380727 46 O -2.7215075 -0.0788597 -0.0521096 -0.0586497 -1.1856701 0.0526544 -0.0223385 -0.0777239 -1.1380727 47 O -2.7215075 0.0788597 -0.0521096 0.0586497 -1.1856701 -0.0526544 -0.0223385 0.0777239 -1.1380727 48 O -2.7215075 -0.0788597 -0.0521096 -0.0586497 -1.1856701 0.0526544 -0.0223385 -0.0777239 -1.1380727 49 O -2.5568102 0.0134009 -0.0642428 0.0052682 -1.1093966 -0.0425099 -0.0450798 0.0233004 -1.7528437 50 O -2.5568102 -0.0134009 -0.0642428 -0.0052682 -1.1093966 0.0425099 -0.0450798 -0.0233004 -1.7528437 51 O -2.5568102 0.0134009 -0.0642428 0.0052682 -1.1093966 -0.0425099 -0.0450798 0.0233004 -1.7528437 52 O -2.5568102 -0.0134009 -0.0642428 -0.0052682 -1.1093966 0.0425099 -0.0450798 -0.0233004 -1.7528437 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:58:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:58:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.571035590371206 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): 1 Sr 0.24999514796766 0.58645869506436 0.88514824010929 87.620 2 Sr 0.75000485203234 0.08645869506436 0.61485175989071 87.620 3 Sr 0.75000485203234 0.41354130493564 0.11485175989071 87.620 4 Sr 0.24999514796766 0.91354130493564 0.38514824010929 87.620 5 Ga 0.93321075751173 0.07640527293389 0.23412565484085 69.723 6 Ga 0.06678924248827 0.57640527293389 0.26587434515915 69.723 7 Ga 0.06678924248827 0.92359472706611 0.76587434515915 69.723 8 Ga 0.93321075751173 0.42359472706611 0.73412565484085 69.723 9 Ga 0.56857218762594 0.80705857702486 0.05390119150299 69.723 10 Ga 0.43142781237406 0.30705857702486 0.44609880849701 69.723 11 Ga 0.43142781237406 0.19294142297514 0.94609880849701 69.723 12 Ga 0.56857218762594 0.69294142297514 0.55390119150299 69.723 13 Ge 0.56164596953473 0.07994500594274 0.24261374592298 72.640 14 Ge 0.43835403046527 0.57994500594274 0.25738625407702 72.640 15 Ge 0.43835403046527 0.92005499405726 0.75738625407702 72.640 16 Ge 0.56164596953473 0.42005499405726 0.74261374592298 72.640 17 Ge 0.94115911033019 0.80169753065232 0.05835624574775 72.640 18 Ge 0.05884088966981 0.30169753065232 0.44164375425225 72.640 19 Ge 0.05884088966981 0.19830246934768 0.94164375425225 72.640 20 Ge 0.94115911033019 0.69830246934768 0.55835624574775 72.640 21 O 0.02226816272294 0.90872263661385 0.19498450832334 15.999 22 O 0.97773183727706 0.40872263661385 0.30501549167666 15.999 23 O 0.97773183727706 0.09127736338615 0.80501549167666 15.999 24 O 0.02226816272294 0.59127736338615 0.69498450832334 15.999 25 O 0.48031942547690 0.92102348197388 0.19169109659916 15.999 26 O 0.51968057452310 0.42102348197388 0.30830890340084 15.999 27 O 0.51968057452310 0.07897651802612 0.80830890340084 15.999 28 O 0.48031942547690 0.57897651802612 0.69169109659916 15.999 29 O 0.93137951052514 0.62902334040510 0.11770906957570 15.999 30 O 0.06862048947487 0.12902334040510 0.38229093042430 15.999 31 O 0.06862048947487 0.37097665959490 0.88229093042430 15.999 32 O 0.93137951052514 0.87097665959490 0.61770906957570 15.999 33 O 0.56780518868482 0.62662978045888 0.11776726961719 15.999 34 O 0.43219481131518 0.12662978045888 0.38223273038281 15.999 35 O 0.43219481131518 0.37337021954112 0.88223273038281 15.999 36 O 0.56780518868482 0.87337021954112 0.61776726961719 15.999 37 O 0.07592350170449 0.80008248639391 0.91539492201380 15.999 38 O 0.92407649829551 0.30008248639391 0.58460507798620 15.999 39 O 0.92407649829551 0.19991751360609 0.08460507798620 15.999 40 O 0.07592350170449 0.69991751360609 0.41539492201380 15.999 41 O 0.42939508603905 0.80124106364030 0.90001888195235 15.999 42 O 0.57060491396096 0.30124106364030 0.59998111804765 15.999 43 O 0.57060491396096 0.19875893635970 0.09998111804765 15.999 44 O 0.42939508603905 0.69875893635970 0.40001888195235 15.999 45 O 0.76118592635632 0.86912043216641 0.00472146373603 15.999 46 O 0.23881407364367 0.36912043216641 0.49527853626397 15.999 47 O 0.23881407364367 0.13087956783359 0.99527853626397 15.999 48 O 0.76118592635632 0.63087956783359 0.50472146373603 15.999 49 O 0.74525414400483 0.07475865650294 0.33067518236961 15.999 50 O 0.25474585599517 0.57475865650294 0.16932481763039 15.999 51 O 0.25474585599517 0.92524134349706 0.66932481763039 15.999 52 O 0.74525414400483 0.42524134349706 0.83067518236961 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.142071180742413 0.000000000000000 0.000000000000000 b 0.000000000000000 9.690402479999998 0.000000000000000 c -0.083200682309898 0.000000000000000 9.227783676056998 Atomic positions (fractional): 1 Sr 0.12499757398383 0.58645869506436 0.88514824010929 87.620 > 1 2 Sr 0.62499757398383 0.58645869506436 0.88514824010929 87.620 > 1 3 Sr 0.37500242601617 0.08645869506436 0.61485175989071 87.620 > 3 4 Sr 0.87500242601617 0.08645869506436 0.61485175989071 87.620 > 3 5 Sr 0.37500242601617 0.41354130493564 0.11485175989071 87.620 > 5 6 Sr 0.87500242601617 0.41354130493564 0.11485175989071 87.620 > 5 7 Sr 0.12499757398383 0.91354130493564 0.38514824010929 87.620 > 7 8 Sr 0.62499757398383 0.91354130493564 0.38514824010929 87.620 > 7 9 Ga 0.46660537875587 0.07640527293389 0.23412565484085 69.723 > 9 10 Ga 0.96660537875587 0.07640527293389 0.23412565484085 69.723 > 9 11 Ga 0.03339462124413 0.57640527293389 0.26587434515915 69.723 > 11 12 Ga 0.53339462124413 0.57640527293389 0.26587434515915 69.723 > 11 13 Ga 0.03339462124413 0.92359472706611 0.76587434515915 69.723 > 13 14 Ga 0.53339462124413 0.92359472706611 0.76587434515915 69.723 > 13 15 Ga 0.46660537875587 0.42359472706611 0.73412565484085 69.723 > 15 16 Ga 0.96660537875587 0.42359472706611 0.73412565484085 69.723 > 15 17 Ga 0.28428609381297 0.80705857702486 0.05390119150299 69.723 > 17 18 Ga 0.78428609381297 0.80705857702486 0.05390119150299 69.723 > 17 19 Ga 0.21571390618703 0.30705857702486 0.44609880849701 69.723 > 19 20 Ga 0.71571390618703 0.30705857702486 0.44609880849701 69.723 > 19 21 Ga 0.21571390618703 0.19294142297514 0.94609880849701 69.723 > 21 22 Ga 0.71571390618703 0.19294142297514 0.94609880849701 69.723 > 21 23 Ga 0.28428609381297 0.69294142297514 0.55390119150299 69.723 > 23 24 Ga 0.78428609381297 0.69294142297514 0.55390119150299 69.723 > 23 25 Ge 0.28082298476737 0.07994500594274 0.24261374592298 72.640 > 25 26 Ge 0.78082298476737 0.07994500594274 0.24261374592298 72.640 > 25 27 Ge 0.21917701523263 0.57994500594274 0.25738625407702 72.640 > 27 28 Ge 0.71917701523263 0.57994500594274 0.25738625407702 72.640 > 27 29 Ge 0.21917701523263 0.92005499405726 0.75738625407702 72.640 > 29 30 Ge 0.71917701523263 0.92005499405726 0.75738625407702 72.640 > 29 31 Ge 0.28082298476737 0.42005499405726 0.74261374592298 72.640 > 31 32 Ge 0.78082298476737 0.42005499405726 0.74261374592298 72.640 > 31 33 Ge 0.47057955516509 0.80169753065232 0.05835624574775 72.640 > 33 34 Ge 0.97057955516509 0.80169753065232 0.05835624574775 72.640 > 33 35 Ge 0.02942044483491 0.30169753065232 0.44164375425225 72.640 > 35 36 Ge 0.52942044483491 0.30169753065232 0.44164375425225 72.640 > 35 37 Ge 0.02942044483491 0.19830246934768 0.94164375425225 72.640 > 37 38 Ge 0.52942044483491 0.19830246934768 0.94164375425225 72.640 > 37 39 Ge 0.47057955516509 0.69830246934768 0.55835624574775 72.640 > 39 40 Ge 0.97057955516509 0.69830246934768 0.55835624574775 72.640 > 39 41 O 0.01113408136147 0.90872263661385 0.19498450832334 15.999 > 41 42 O 0.51113408136147 0.90872263661385 0.19498450832334 15.999 > 41 43 O 0.48886591863853 0.40872263661385 0.30501549167666 15.999 > 43 44 O 0.98886591863853 0.40872263661385 0.30501549167666 15.999 > 43 45 O 0.48886591863853 0.09127736338615 0.80501549167666 15.999 > 45 46 O 0.98886591863853 0.09127736338615 0.80501549167666 15.999 > 45 47 O 0.01113408136147 0.59127736338615 0.69498450832334 15.999 > 47 48 O 0.51113408136147 0.59127736338615 0.69498450832334 15.999 > 47 49 O 0.24015971273845 0.92102348197388 0.19169109659916 15.999 > 49 50 O 0.74015971273845 0.92102348197388 0.19169109659916 15.999 > 49 51 O 0.25984028726155 0.42102348197388 0.30830890340084 15.999 > 51 52 O 0.75984028726155 0.42102348197388 0.30830890340084 15.999 > 51 53 O 0.25984028726155 0.07897651802612 0.80830890340084 15.999 > 53 54 O 0.75984028726155 0.07897651802612 0.80830890340084 15.999 > 53 55 O 0.24015971273845 0.57897651802612 0.69169109659916 15.999 > 55 56 O 0.74015971273845 0.57897651802612 0.69169109659916 15.999 > 55 57 O 0.46568975526257 0.62902334040510 0.11770906957570 15.999 > 57 58 O 0.96568975526257 0.62902334040510 0.11770906957570 15.999 > 57 59 O 0.03431024473743 0.12902334040510 0.38229093042430 15.999 > 59 60 O 0.53431024473743 0.12902334040510 0.38229093042430 15.999 > 59 61 O 0.03431024473743 0.37097665959490 0.88229093042430 15.999 > 61 62 O 0.53431024473743 0.37097665959490 0.88229093042430 15.999 > 61 63 O 0.46568975526257 0.87097665959490 0.61770906957570 15.999 > 63 64 O 0.96568975526257 0.87097665959490 0.61770906957570 15.999 > 63 65 O 0.28390259434241 0.62662978045888 0.11776726961719 15.999 > 65 66 O 0.78390259434241 0.62662978045888 0.11776726961719 15.999 > 65 67 O 0.21609740565759 0.12662978045888 0.38223273038281 15.999 > 67 68 O 0.71609740565759 0.12662978045888 0.38223273038281 15.999 > 67 69 O 0.21609740565759 0.37337021954112 0.88223273038281 15.999 > 69 70 O 0.71609740565759 0.37337021954112 0.88223273038281 15.999 > 69 71 O 0.28390259434241 0.87337021954112 0.61776726961719 15.999 > 71 72 O 0.78390259434241 0.87337021954112 0.61776726961719 15.999 > 71 73 O 0.03796175085225 0.80008248639391 0.91539492201380 15.999 > 73 74 O 0.53796175085225 0.80008248639391 0.91539492201380 15.999 > 73 75 O 0.46203824914775 0.30008248639391 0.58460507798620 15.999 > 75 76 O 0.96203824914775 0.30008248639391 0.58460507798620 15.999 > 75 77 O 0.46203824914775 0.19991751360609 0.08460507798620 15.999 > 77 78 O 0.96203824914775 0.19991751360609 0.08460507798620 15.999 > 77 79 O 0.03796175085225 0.69991751360609 0.41539492201380 15.999 > 79 80 O 0.53796175085225 0.69991751360609 0.41539492201380 15.999 > 79 81 O 0.21469754301952 0.80124106364030 0.90001888195235 15.999 > 81 82 O 0.71469754301952 0.80124106364030 0.90001888195235 15.999 > 81 83 O 0.28530245698048 0.30124106364030 0.59998111804765 15.999 > 83 84 O 0.78530245698048 0.30124106364030 0.59998111804765 15.999 > 83 85 O 0.28530245698048 0.19875893635970 0.09998111804765 15.999 > 85 86 O 0.78530245698048 0.19875893635970 0.09998111804765 15.999 > 85 87 O 0.21469754301952 0.69875893635970 0.40001888195235 15.999 > 87 88 O 0.71469754301952 0.69875893635970 0.40001888195235 15.999 > 87 89 O 0.38059296317816 0.86912043216641 0.00472146373603 15.999 > 89 90 O 0.88059296317816 0.86912043216641 0.00472146373603 15.999 > 89 91 O 0.11940703682184 0.36912043216641 0.49527853626397 15.999 > 91 92 O 0.61940703682184 0.36912043216641 0.49527853626397 15.999 > 91 93 O 0.11940703682184 0.13087956783359 0.99527853626397 15.999 > 93 94 O 0.61940703682184 0.13087956783359 0.99527853626397 15.999 > 93 95 O 0.38059296317816 0.63087956783359 0.50472146373603 15.999 > 95 96 O 0.88059296317816 0.63087956783359 0.50472146373603 15.999 > 95 97 O 0.37262707200242 0.07475865650294 0.33067518236961 15.999 > 97 98 O 0.87262707200242 0.07475865650294 0.33067518236961 15.999 > 97 99 O 0.12737292799758 0.57475865650294 0.16932481763039 15.999 > 99 100 O 0.62737292799758 0.57475865650294 0.16932481763039 15.999 > 99 101 O 0.12737292799758 0.92524134349706 0.66932481763039 15.999 > 101 102 O 0.62737292799758 0.92524134349706 0.66932481763039 15.999 > 101 103 O 0.37262707200242 0.42524134349706 0.83067518236961 15.999 > 103 104 O 0.87262707200242 0.42524134349706 0.83067518236961 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1000796 0.0000000 -0.0069505 0.0000000 3.1243682 0.0000000 -0.0069154 0.0000000 3.0496603 -------------------------- Born effective charges -------------------------- 1 Sr 2.8173810 -0.0684615 0.0317190 -0.0372919 2.8939763 0.2066587 -0.0012741 0.2554153 2.4638129 2 Sr 2.8173810 0.0684615 0.0317190 0.0372919 2.8939763 -0.2066587 -0.0012741 -0.2554153 2.4638129 3 Sr 2.8173810 -0.0684615 0.0317190 -0.0372919 2.8939763 0.2066587 -0.0012741 0.2554153 2.4638129 4 Sr 2.8173810 0.0684615 0.0317190 0.0372919 2.8939763 -0.2066587 -0.0012741 -0.2554153 2.4638129 5 Ga 2.6607411 0.2130565 -0.2625007 0.0251721 2.7118169 0.3465685 0.1309720 -0.0272498 2.7110568 6 Ga 2.6607411 -0.2130565 -0.2625007 -0.0251721 2.7118169 -0.3465685 0.1309720 0.0272498 2.7110568 7 Ga 2.6607411 0.2130565 -0.2625007 0.0251721 2.7118169 0.3465685 0.1309720 -0.0272498 2.7110568 8 Ga 2.6607411 -0.2130565 -0.2625007 -0.0251721 2.7118169 -0.3465685 0.1309720 0.0272498 2.7110568 9 Ga 2.7527059 0.4247786 0.0120728 -0.2898533 2.7680735 0.1010791 0.3400612 -0.2040278 2.7057944 10 Ga 2.7527059 -0.4247786 0.0120728 0.2898533 2.7680735 -0.1010791 0.3400612 0.2040278 2.7057944 11 Ga 2.7527059 0.4247786 0.0120728 -0.2898533 2.7680735 0.1010791 0.3400612 -0.2040278 2.7057944 12 Ga 2.7527059 -0.4247786 0.0120728 0.2898533 2.7680735 -0.1010791 0.3400612 0.2040278 2.7057944 13 Ge 3.0530631 -0.2169013 0.1972572 0.0173302 2.9914443 0.3345400 -0.1873200 -0.0749632 3.0779777 14 Ge 3.0530631 0.2169013 0.1972572 -0.0173302 2.9914443 -0.3345400 -0.1873200 0.0749632 3.0779777 15 Ge 3.0530631 -0.2169013 0.1972572 0.0173302 2.9914443 0.3345400 -0.1873200 -0.0749632 3.0779777 16 Ge 3.0530631 0.2169013 0.1972572 -0.0173302 2.9914443 -0.3345400 -0.1873200 0.0749632 3.0779777 17 Ge 3.0471049 -0.4722809 -0.0171308 0.2885336 3.1673419 0.1159263 -0.4232924 -0.2286586 3.0500427 18 Ge 3.0471049 0.4722809 -0.0171308 -0.2885336 3.1673419 -0.1159263 -0.4232924 0.2286586 3.0500427 19 Ge 3.0471049 -0.4722809 -0.0171308 0.2885336 3.1673419 0.1159263 -0.4232924 -0.2286586 3.0500427 20 Ge 3.0471049 0.4722809 -0.0171308 -0.2885336 3.1673419 -0.1159263 -0.4232924 0.2286586 3.0500427 21 O -1.4222551 0.0341964 -0.3004470 0.0119426 -2.2241421 -0.6224980 -0.3458270 -0.4297987 -1.7124468 22 O -1.4222551 -0.0341964 -0.3004470 -0.0119426 -2.2241421 0.6224980 -0.3458270 0.4297987 -1.7124468 23 O -1.4222551 0.0341964 -0.3004470 0.0119426 -2.2241421 -0.6224980 -0.3458270 -0.4297987 -1.7124468 24 O -1.4222551 -0.0341964 -0.3004470 -0.0119426 -2.2241421 0.6224980 -0.3458270 0.4297987 -1.7124468 25 O -1.4131424 -0.0741084 0.2424584 -0.0993406 -2.2593024 -0.6033241 0.2574422 -0.4372903 -1.6161695 26 O -1.4131424 0.0741084 0.2424584 0.0993406 -2.2593024 0.6033241 0.2574422 0.4372903 -1.6161695 27 O -1.4131424 -0.0741084 0.2424584 -0.0993406 -2.2593024 -0.6033241 0.2574422 -0.4372903 -1.6161695 28 O -1.4131424 0.0741084 0.2424584 0.0993406 -2.2593024 0.6033241 0.2574422 0.4372903 -1.6161695 29 O -1.5472983 0.1380094 -0.3142697 0.0005472 -2.3136804 0.5304349 -0.2829552 0.5492532 -1.6701077 30 O -1.5472983 -0.1380094 -0.3142697 -0.0005472 -2.3136804 -0.5304349 -0.2829552 -0.5492532 -1.6701077 31 O -1.5472983 0.1380094 -0.3142697 0.0005472 -2.3136804 0.5304349 -0.2829552 0.5492532 -1.6701077 32 O -1.5472983 -0.1380094 -0.3142697 -0.0005472 -2.3136804 -0.5304349 -0.2829552 -0.5492532 -1.6701077 33 O -1.6334071 -0.1799610 0.4097598 -0.0826682 -2.1194586 0.5136755 0.4101687 0.4754716 -1.7377932 34 O -1.6334071 0.1799610 0.4097598 0.0826682 -2.1194586 -0.5136755 0.4101687 -0.4754716 -1.7377932 35 O -1.6334071 -0.1799610 0.4097598 -0.0826682 -2.1194586 0.5136755 0.4101687 0.4754716 -1.7377932 36 O -1.6334071 0.1799610 0.4097598 0.0826682 -2.1194586 -0.5136755 0.4101687 -0.4754716 -1.7377932 37 O -1.5586885 0.1139476 0.5573271 0.1123385 -1.6236962 0.2294334 0.6158312 0.3641014 -2.1964842 38 O -1.5586885 -0.1139476 0.5573271 -0.1123385 -1.6236962 -0.2294334 0.6158312 -0.3641014 -2.1964842 39 O -1.5586885 0.1139476 0.5573271 0.1123385 -1.6236962 0.2294334 0.6158312 0.3641014 -2.1964842 40 O -1.5586885 -0.1139476 0.5573271 -0.1123385 -1.6236962 -0.2294334 0.6158312 -0.3641014 -2.1964842 41 O -1.4778870 -0.0959276 -0.4398938 -0.1370839 -1.6973066 0.3025049 -0.4463883 0.4723864 -2.1847667 42 O -1.4778870 0.0959276 -0.4398938 0.1370839 -1.6973066 -0.3025049 -0.4463883 -0.4723864 -2.1847667 43 O -1.4778870 -0.0959276 -0.4398938 -0.1370839 -1.6973066 0.3025049 -0.4463883 0.4723864 -2.1847667 44 O -1.4778870 0.0959276 -0.4398938 0.1370839 -1.6973066 -0.3025049 -0.4463883 -0.4723864 -2.1847667 45 O -2.7215075 0.0788597 -0.0521096 0.0586497 -1.1856701 -0.0526544 -0.0223385 0.0777239 -1.1380727 46 O -2.7215075 -0.0788597 -0.0521096 -0.0586497 -1.1856701 0.0526544 -0.0223385 -0.0777239 -1.1380727 47 O -2.7215075 0.0788597 -0.0521096 0.0586497 -1.1856701 -0.0526544 -0.0223385 0.0777239 -1.1380727 48 O -2.7215075 -0.0788597 -0.0521096 -0.0586497 -1.1856701 0.0526544 -0.0223385 -0.0777239 -1.1380727 49 O -2.5568102 0.0134009 -0.0642428 0.0052682 -1.1093966 -0.0425099 -0.0450798 0.0233004 -1.7528437 50 O -2.5568102 -0.0134009 -0.0642428 -0.0052682 -1.1093966 0.0425099 -0.0450798 -0.0233004 -1.7528437 51 O -2.5568102 0.0134009 -0.0642428 0.0052682 -1.1093966 -0.0425099 -0.0450798 0.0233004 -1.7528437 52 O -2.5568102 -0.0134009 -0.0642428 -0.0052682 -1.1093966 0.0425099 -0.0450798 -0.0233004 -1.7528437 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 299, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.671 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.187 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.979 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.380 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.392 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.539 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 8.961 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.275 ( 0.000 0.000 0.000) 0.000 13.378 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.664 ( 0.000 0.000 0.000) 0.000 13.995 ( 0.000 0.000 0.000) 0.000 14.220 ( 0.000 0.000 0.000) 0.000 14.335 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.509 ( 0.000 0.000 0.000) 0.000 14.821 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 15.313 ( 0.000 0.000 0.000) 0.000 15.328 ( 0.000 0.000 0.000) 0.000 15.591 ( 0.000 0.000 0.000) 0.000 15.727 ( 0.000 0.000 0.000) 0.000 15.831 ( 0.000 0.000 0.000) 0.000 15.908 ( 0.000 0.000 0.000) 0.000 16.239 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.395 ( 0.000 0.000 0.000) 0.000 16.458 ( 0.000 0.000 0.000) 0.000 16.532 ( 0.000 0.000 0.000) 0.000 16.615 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 17.823 ( 0.000 0.000 0.000) 0.000 18.006 ( 0.000 0.000 0.000) 0.000 20.947 ( 0.000 0.000 0.000) 0.000 20.983 ( 0.000 0.000 0.000) 0.000 21.155 ( 0.000 0.000 0.000) 0.000 21.449 ( 0.000 0.000 0.000) 0.000 21.459 ( 0.000 0.000 0.000) 0.000 21.487 ( 0.000 0.000 0.000) 0.000 21.802 ( 0.000 0.000 0.000) 0.000 21.815 ( 0.000 0.000 0.000) 0.000 22.138 ( 0.000 0.000 0.000) 0.000 22.207 ( 0.000 0.000 0.000) 0.000 22.225 ( 0.000 0.000 0.000) 0.000 22.387 ( 0.000 0.000 0.000) 0.000 22.473 ( 0.000 0.000 0.000) 0.000 22.734 ( 0.000 0.000 0.000) 0.000 22.960 ( 0.000 0.000 0.000) 0.000 22.969 ( 0.000 0.000 0.000) 0.000 23.299 ( 0.000 0.000 0.000) 0.000 23.832 ( 0.000 0.000 0.000) 0.000 23.933 ( 0.000 0.000 0.000) 0.000 24.148 ( 0.000 0.000 0.000) 0.000 24.148 ( 0.000 0.000 0.000) 0.000 24.212 ( 0.000 0.000 0.000) 0.000 24.241 ( 0.000 0.000 0.000) 0.000 24.337 ( 0.000 0.000 0.000) 0.000 24.340 ( 0.000 0.000 0.000) 0.000 24.414 ( 0.000 0.000 0.000) 0.000 24.566 ( 0.000 0.000 0.000) 0.000 24.825 ( 0.000 0.000 0.000) 0.000 25.086 ( 0.000 0.000 0.000) 0.000 25.086 ( 0.000 0.000 0.000) 0.000 25.087 ( 0.000 0.000 0.000) 0.000 25.224 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 22.698 0.000 7.612) 23.941 0.521 ( 26.735 0.000 -2.325) 26.836 0.980 ( 48.301 0.000 -1.002) 48.312 1.649 ( -2.082 0.000 0.082) 2.084 1.837 ( 3.761 0.000 1.188) 3.944 1.963 ( 17.384 0.000 -1.812) 17.478 2.089 ( -3.613 0.000 2.003) 4.132 2.197 ( 5.105 0.000 1.939) 5.461 2.236 ( -4.453 0.000 0.981) 4.560 2.449 ( 1.137 0.000 -0.150) 1.147 2.536 ( -1.902 0.000 3.234) 3.751 2.579 ( -2.905 0.000 -2.611) 3.906 2.590 ( -8.461 0.000 2.655) 8.868 2.634 ( -2.749 0.000 0.234) 2.759 2.701 ( -1.602 0.000 -7.024) 7.204 2.792 ( -4.611 0.000 3.611) 5.856 2.881 ( 5.839 0.000 -3.880) 7.010 2.894 ( -1.953 0.000 -4.383) 4.798 3.029 ( 2.176 0.000 -2.640) 3.421 3.036 ( -1.404 0.000 -1.885) 2.351 3.063 ( -4.228 0.000 10.755) 11.556 3.168 ( -4.173 0.000 -6.372) 7.616 3.264 ( -5.595 0.000 6.456) 8.543 3.362 ( -3.867 0.000 -6.524) 7.584 3.387 ( 0.363 0.000 -4.760) 4.773 3.442 ( -6.818 0.000 2.758) 7.355 3.528 ( 3.386 0.000 -1.928) 3.896 3.554 ( -4.794 0.000 1.523) 5.030 3.658 ( -1.426 0.000 0.990) 1.736 3.707 ( 9.259 0.000 -0.184) 9.261 3.720 ( 1.602 0.000 2.786) 3.214 3.866 ( 3.589 0.000 -2.148) 4.183 4.026 ( -4.559 0.000 6.126) 7.636 4.103 ( 7.266 0.000 3.197) 7.939 4.181 ( -1.986 0.000 -0.981) 2.215 4.377 ( 4.794 0.000 -0.478) 4.818 4.430 ( 1.992 0.000 1.185) 2.318 4.596 ( 4.102 0.000 2.492) 4.800 4.604 ( -11.416 0.000 -6.979) 13.380 4.630 ( -7.752 0.000 7.090) 10.506 4.807 ( 0.822 0.000 -2.847) 2.964 4.881 ( 4.443 0.000 0.875) 4.528 4.980 ( -1.194 0.000 -3.405) 3.608 5.078 ( -6.884 0.000 0.584) 6.909 5.173 ( -2.421 0.000 0.187) 2.428 5.245 ( -3.035 0.000 -9.223) 9.709 5.249 ( 4.289 0.000 1.429) 4.520 5.349 ( 6.019 0.000 1.503) 6.204 5.367 ( -4.641 0.000 6.996) 8.395 5.457 ( 4.968 0.000 1.655) 5.236 5.553 ( -1.175 0.000 -3.987) 4.156 5.612 ( -1.697 0.000 6.303) 6.528 5.702 ( -3.212 0.000 -1.126) 3.403 5.816 ( 4.745 0.000 -2.650) 5.435 5.975 ( 0.119 0.000 -0.267) 0.293 6.065 ( -0.411 0.000 -3.438) 3.462 6.226 ( 2.199 0.000 -1.088) 2.453 6.319 ( 2.569 0.000 0.100) 2.571 6.343 ( 12.764 0.000 0.343) 12.769 6.461 ( -4.283 0.000 -0.055) 4.283 6.689 ( -0.143 0.000 -2.302) 2.306 6.903 ( -2.072 0.000 0.890) 2.255 6.914 ( -6.180 0.000 3.887) 7.301 7.046 ( -4.065 0.000 -2.523) 4.785 7.175 ( -2.599 0.000 2.675) 3.729 7.180 ( -3.520 0.000 -0.496) 3.555 7.200 ( -3.700 0.000 0.065) 3.700 7.312 ( 1.552 0.000 -6.188) 6.380 7.524 ( 3.851 0.000 -0.067) 3.851 7.634 ( -4.920 0.000 17.558) 18.234 7.778 ( -1.123 0.000 -0.268) 1.154 7.833 ( 6.311 0.000 -2.768) 6.892 7.837 ( -2.111 0.000 10.193) 10.409 8.034 ( 1.691 0.000 -7.279) 7.473 8.051 ( 4.865 0.000 2.948) 5.688 8.088 ( 6.176 0.000 -10.656) 12.316 8.344 ( -2.238 0.000 8.512) 8.801 8.457 ( -1.189 0.000 3.842) 4.022 8.511 ( -1.193 0.000 -0.764) 1.417 8.586 ( 0.393 0.000 1.316) 1.373 8.723 ( 8.672 0.000 -8.535) 12.167 8.751 ( -2.731 0.000 -1.889) 3.320 9.052 ( -0.572 0.000 5.849) 5.877 9.092 ( -4.294 0.000 -3.101) 5.297 9.139 ( -6.199 0.000 -7.699) 9.884 9.480 ( 5.765 0.000 -7.884) 9.767 9.526 ( 1.157 0.000 1.681) 2.041 9.610 ( -3.446 0.000 5.687) 6.650 9.825 ( 8.551 0.000 -1.532) 8.687 9.957 ( -2.071 0.000 -0.906) 2.261 10.019 ( -3.547 0.000 1.635) 3.906 10.250 ( -2.337 0.000 -0.074) 2.338 13.383 ( 0.589 0.000 -0.212) 0.626 13.489 ( -1.270 0.000 -0.107) 1.274 13.611 ( -2.886 0.000 -0.874) 3.016 13.626 ( -3.496 0.000 0.671) 3.560 14.010 ( 0.207 0.000 -6.041) 6.044 14.251 ( 2.740 0.000 0.552) 2.795 14.339 ( 0.359 0.000 -1.318) 1.366 14.495 ( 0.576 0.000 0.273) 0.638 14.501 ( 0.512 0.000 4.906) 4.932 14.532 ( 1.575 0.000 -0.328) 1.608 14.712 ( -6.657 0.000 0.414) 6.670 14.788 ( -4.605 0.000 -0.541) 4.637 14.920 ( 0.535 0.000 -1.103) 1.226 14.992 ( 6.372 0.000 -2.873) 6.990 15.130 ( 3.901 0.000 -0.605) 3.947 15.207 ( 2.756 0.000 2.621) 3.803 15.294 ( -0.082 0.000 4.098) 4.099 15.338 ( 1.405 0.000 -0.270) 1.430 15.421 ( 7.738 0.000 -2.294) 8.071 15.673 ( 7.018 0.000 -1.984) 7.293 15.753 ( -3.179 0.000 0.640) 3.242 15.891 ( -2.043 0.000 -0.013) 2.043 15.918 ( 4.775 0.000 -2.618) 5.445 16.196 ( -7.760 0.000 5.595) 9.566 16.360 ( -3.681 0.000 -7.342) 8.213 16.374 ( -2.047 0.000 -1.307) 2.428 16.563 ( -5.202 0.000 1.042) 5.305 16.600 ( -2.026 0.000 3.426) 3.980 16.753 ( 13.302 0.000 -2.109) 13.468 17.540 ( 3.427 0.000 20.592) 20.875 17.768 ( -5.627 0.000 1.093) 5.732 17.977 ( -3.091 0.000 -4.245) 5.251 20.953 ( 0.594 0.000 0.141) 0.610 20.986 ( 0.313 0.000 -0.065) 0.319 21.182 ( 2.712 0.000 -0.021) 2.712 21.441 ( -1.519 0.000 2.347) 2.796 21.451 ( 0.211 0.000 0.060) 0.219 21.525 ( 2.594 0.000 -0.616) 2.666 21.749 ( -4.982 0.000 0.134) 4.983 21.828 ( -2.121 0.000 -11.687) 11.877 22.162 ( 2.169 0.000 -0.395) 2.205 22.231 ( 0.589 0.000 -0.215) 0.627 22.371 ( -1.461 0.000 -1.293) 1.951 22.452 ( -2.001 0.000 0.047) 2.002 22.601 ( -1.496 0.000 -1.076) 1.843 22.773 ( 3.104 0.000 1.029) 3.271 22.985 ( 1.653 0.000 -0.077) 1.655 23.276 ( -2.392 0.000 -1.122) 2.642 23.753 ( -4.509 0.000 4.387) 6.291 23.881 ( 2.407 0.000 -12.188) 12.424 23.995 ( 2.886 0.000 -4.033) 4.959 24.171 ( -1.202 0.000 2.971) 3.205 24.181 ( 3.592 0.000 0.962) 3.719 24.193 ( -1.350 0.000 3.505) 3.756 24.270 ( 1.564 0.000 -3.174) 3.539 24.368 ( 2.555 0.000 -0.591) 2.623 24.401 ( -2.165 0.000 4.159) 4.688 24.412 ( -1.394 0.000 0.510) 1.485 24.537 ( -2.647 0.000 0.957) 2.815 24.784 ( -3.853 0.000 -0.023) 3.853 25.086 ( 1.251 0.000 0.632) 1.401 25.131 ( 2.653 0.000 -1.325) 2.965 25.284 ( 5.600 0.000 -0.778) 5.654 25.735 ( -2.415 0.000 4.406) 5.025 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 22.317 0.000 6.172) 23.155 1.036 ( 26.103 0.000 -2.255) 26.200 1.543 ( -9.351 0.000 -2.950) 9.805 1.788 ( 30.356 0.000 -0.780) 30.366 1.926 ( 4.913 0.000 2.160) 5.366 1.954 ( -17.098 0.000 3.054) 17.368 2.067 ( -4.509 0.000 -0.796) 4.579 2.326 ( 2.166 0.000 -2.185) 3.077 2.365 ( 19.925 0.000 5.376) 20.637 2.450 ( 0.929 0.000 -2.889) 3.034 2.463 ( -4.807 0.000 10.259) 11.329 2.503 ( -0.460 0.000 -1.910) 1.965 2.526 ( 11.455 0.000 -2.452) 11.714 2.627 ( -7.500 0.000 -5.566) 9.340 2.680 ( 2.553 0.000 2.138) 3.330 2.689 ( -3.807 0.000 -4.905) 6.209 2.867 ( -11.959 0.000 0.854) 11.990 2.868 ( 0.382 0.000 -4.890) 4.905 2.961 ( 2.974 0.000 3.140) 4.325 3.051 ( -1.830 0.000 3.947) 4.351 3.111 ( 5.001 0.000 -9.052) 10.341 3.121 ( 0.978 0.000 0.728) 1.220 3.227 ( 2.020 0.000 4.507) 4.939 3.277 ( -9.887 0.000 -1.482) 9.998 3.324 ( -1.337 0.000 -1.219) 1.809 3.445 ( 6.525 0.000 -3.306) 7.315 3.502 ( -1.350 0.000 4.409) 4.611 3.512 ( -4.323 0.000 -1.773) 4.672 3.568 ( -15.085 0.000 2.382) 15.272 3.658 ( 0.499 0.000 0.287) 0.575 3.811 ( -1.270 0.000 0.128) 1.276 3.895 ( 8.681 0.000 0.718) 8.710 4.005 ( -24.976 0.000 2.841) 25.137 4.175 ( 5.181 0.000 -0.462) 5.201 4.177 ( 0.791 0.000 -2.507) 2.629 4.363 ( 12.193 0.000 1.399) 12.273 4.436 ( 1.904 0.000 -3.268) 3.782 4.482 ( 2.881 0.000 4.273) 5.153 4.625 ( -2.925 0.000 1.065) 3.113 4.701 ( 4.831 0.000 6.914) 8.435 4.771 ( -1.395 0.000 -6.876) 7.016 4.887 ( -9.567 0.000 1.571) 9.695 4.958 ( 0.041 0.000 -0.873) 0.874 5.023 ( -1.445 0.000 -0.777) 1.641 5.058 ( -9.543 0.000 -2.208) 9.795 5.134 ( 1.935 0.000 -3.024) 3.590 5.291 ( -0.450 0.000 0.653) 0.793 5.367 ( 0.882 0.000 -2.352) 2.512 5.482 ( 6.221 0.000 1.927) 6.513 5.505 ( -2.621 0.000 -1.757) 3.155 5.559 ( -2.913 0.000 4.720) 5.547 5.593 ( 7.678 0.000 2.074) 7.953 5.676 ( 0.266 0.000 3.472) 3.482 5.915 ( 4.024 0.000 -4.963) 6.389 6.020 ( 5.010 0.000 1.286) 5.172 6.059 ( -0.451 0.000 -2.240) 2.285 6.236 ( -0.872 0.000 -2.227) 2.392 6.320 ( -2.963 0.000 1.792) 3.463 6.416 ( 1.124 0.000 -4.444) 4.584 6.619 ( 14.025 0.000 -0.139) 14.026 6.630 ( -7.549 0.000 1.034) 7.620 6.797 ( -3.658 0.000 2.966) 4.709 6.840 ( -3.606 0.000 0.223) 3.613 6.972 ( -2.936 0.000 0.253) 2.947 7.090 ( -4.349 0.000 1.018) 4.466 7.124 ( -2.548 0.000 2.339) 3.459 7.207 ( 3.462 0.000 -5.088) 6.155 7.349 ( 2.010 0.000 -8.161) 8.405 7.488 ( -8.197 0.000 8.455) 11.776 7.603 ( 2.207 0.000 2.167) 3.093 7.753 ( -1.263 0.000 -0.183) 1.276 7.786 ( -2.787 0.000 8.844) 9.273 7.941 ( 5.195 0.000 -4.770) 7.053 8.077 ( 2.780 0.000 -3.259) 4.283 8.087 ( -0.294 0.000 0.473) 0.557 8.272 ( 9.461 0.000 -1.650) 9.604 8.337 ( 0.635 0.000 4.634) 4.678 8.448 ( 0.510 0.000 3.566) 3.602 8.482 ( -1.682 0.000 -0.178) 1.691 8.578 ( -1.824 0.000 0.461) 1.881 8.691 ( -2.689 0.000 -0.336) 2.710 8.843 ( 1.522 0.000 -6.776) 6.945 8.956 ( -3.205 0.000 0.826) 3.310 9.012 ( -3.352 0.000 -2.441) 4.147 9.168 ( 5.952 0.000 -3.297) 6.804 9.515 ( -6.401 0.000 5.267) 8.289 9.545 ( 1.317 0.000 -0.738) 1.510 9.615 ( 7.071 0.000 -0.499) 7.089 9.894 ( -4.764 0.000 -1.783) 5.087 9.940 ( -3.548 0.000 1.891) 4.021 9.981 ( 6.834 0.000 -0.465) 6.850 10.196 ( -3.006 0.000 -0.030) 3.006 13.407 ( 1.977 0.000 0.339) 2.006 13.466 ( -0.786 0.000 -0.297) 0.841 13.540 ( -4.073 0.000 -1.060) 4.209 13.552 ( -3.554 0.000 0.784) 3.640 14.013 ( 0.179 0.000 -1.840) 1.849 14.308 ( 2.770 0.000 1.396) 3.102 14.346 ( 0.374 0.000 -1.867) 1.904 14.507 ( 0.360 0.000 0.494) 0.611 14.520 ( 1.035 0.000 2.719) 2.910 14.563 ( 1.519 0.000 -0.372) 1.564 14.596 ( -4.661 0.000 -0.465) 4.684 14.708 ( -3.363 0.000 -0.182) 3.368 14.909 ( -1.092 0.000 0.116) 1.098 15.088 ( 2.901 0.000 -3.924) 4.880 15.180 ( 1.604 0.000 3.191) 3.571 15.273 ( 2.806 0.000 2.147) 3.533 15.382 ( 8.507 0.000 0.137) 8.508 15.384 ( 3.666 0.000 -1.523) 3.970 15.535 ( 1.212 0.000 -3.242) 3.461 15.752 ( 4.622 0.000 2.620) 5.314 15.804 ( -2.948 0.000 2.512) 3.874 15.817 ( 2.406 0.000 -1.812) 3.012 16.009 ( 4.249 0.000 -0.941) 4.352 16.069 ( -4.289 0.000 3.021) 5.246 16.302 ( -2.279 0.000 -6.415) 6.808 16.324 ( -2.691 0.000 -2.927) 3.976 16.429 ( -7.890 0.000 2.404) 8.249 16.543 ( -3.199 0.000 3.373) 4.649 17.025 ( 13.891 0.000 -2.122) 14.052 17.615 ( -9.526 0.000 1.770) 9.688 17.634 ( 5.688 0.000 9.727) 11.268 17.892 ( -5.289 0.000 -4.442) 6.907 20.966 ( 0.601 0.000 0.150) 0.620 20.993 ( 0.316 0.000 -0.067) 0.323 21.251 ( 3.990 0.000 -0.038) 3.990 21.417 ( -0.879 0.000 1.023) 1.349 21.460 ( 0.886 0.000 0.127) 0.895 21.579 ( 2.759 0.000 -0.192) 2.766 21.632 ( -6.503 0.000 0.002) 6.503 21.774 ( -2.909 0.000 -4.165) 5.081 22.208 ( 2.275 0.000 -0.330) 2.299 22.245 ( 0.718 0.000 -0.053) 0.719 22.338 ( -1.592 0.000 -1.238) 2.017 22.405 ( -2.540 0.000 0.020) 2.540 22.578 ( -0.767 0.000 0.169) 0.786 22.828 ( 2.197 0.000 1.190) 2.499 23.033 ( 3.170 0.000 -0.154) 3.174 23.208 ( -4.350 0.000 -0.708) 4.407 23.697 ( -1.487 0.000 2.701) 3.083 23.944 ( 3.993 0.000 -5.117) 6.490 24.024 ( 0.629 0.000 -2.069) 2.163 24.119 ( -3.807 0.000 -0.757) 3.881 24.186 ( 0.406 0.000 2.659) 2.690 24.270 ( 4.825 0.000 0.144) 4.827 24.301 ( 1.457 0.000 -1.694) 2.234 24.347 ( -2.571 0.000 2.914) 3.886 24.391 ( -1.041 0.000 0.194) 1.059 24.411 ( 0.309 0.000 -0.915) 0.966 24.491 ( -0.542 0.000 1.631) 1.719 24.695 ( -4.720 0.000 -0.234) 4.726 25.119 ( 1.614 0.000 0.574) 1.713 25.176 ( 1.734 0.000 -1.169) 2.092 25.416 ( 7.393 0.000 -1.435) 7.531 25.666 ( -4.691 0.000 2.676) 5.401 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 0.000 0.000) 0.000 1.283 ( -0.000 0.000 -0.000) 0.000 1.519 ( -0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 -0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 -0.000) 0.000 2.108 ( -0.000 0.000 -0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 -0.000) 0.000 2.567 ( -0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.661 ( 0.000 0.000 -0.000) 0.000 2.719 ( 0.000 0.000 -0.000) 0.000 2.907 ( 0.000 0.000 -0.000) 0.000 2.946 ( -0.000 0.000 -0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 -0.000) 0.000 3.071 ( -0.000 0.000 -0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 -0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 -0.000) 0.000 3.469 ( -0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 -0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 -0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 -0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.520 ( 0.000 0.000 -0.000) 0.000 4.598 ( 0.000 0.000 0.000) 0.000 4.704 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 -0.000) 0.000 4.815 ( -0.000 0.000 -0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 -0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 -0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 -0.000) 0.000 5.687 ( 0.000 0.000 -0.000) 0.000 5.971 ( 0.000 0.000 -0.000) 0.000 6.050 ( 0.000 0.000 -0.000) 0.000 6.069 ( 0.000 0.000 -0.000) 0.000 6.222 ( 0.000 0.000 -0.000) 0.000 6.321 ( 0.000 0.000 -0.000) 0.000 6.456 ( -0.000 0.000 0.000) 0.000 6.466 ( 0.000 0.000 -0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 -0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.095 ( 0.000 0.000 0.000) 0.000 7.311 ( 0.000 0.000 -0.000) 0.000 7.329 ( -0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 -0.000) 0.000 7.628 ( 0.000 0.000 -0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 8.024 ( -0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 -0.000) 0.000 8.112 ( 0.000 0.000 0.000) 0.000 8.345 ( 0.000 0.000 -0.000) 0.000 8.392 ( 0.000 0.000 -0.000) 0.000 8.461 ( 0.000 0.000 -0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 -0.000) 0.000 8.667 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 -0.000) 0.000 8.977 ( 0.000 0.000 -0.000) 0.000 9.273 ( 0.000 0.000 -0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 -0.000) 0.000 9.727 ( 0.000 0.000 -0.000) 0.000 9.800 ( 0.000 0.000 0.000) 0.000 9.905 ( 0.000 0.000 -0.000) 0.000 10.063 ( 0.000 0.000 -0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 -0.000) 0.000 13.461 ( 0.000 0.000 -0.000) 0.000 13.471 ( 0.000 0.000 -0.000) 0.000 13.511 ( 0.000 0.000 -0.000) 0.000 14.015 ( 0.000 0.000 -0.000) 0.000 14.345 ( 0.000 0.000 0.000) 0.000 14.346 ( -0.000 0.000 -0.000) 0.000 14.503 ( 0.000 0.000 -0.000) 0.000 14.532 ( 0.000 0.000 -0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.582 ( 0.000 0.000 0.000) 0.000 14.671 ( 0.000 0.000 -0.000) 0.000 14.896 ( 0.000 0.000 0.000) 0.000 15.108 ( 0.000 0.000 -0.000) 0.000 15.204 ( 0.000 0.000 0.000) 0.000 15.299 ( 0.000 0.000 -0.000) 0.000 15.453 ( 0.000 0.000 -0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 -0.000) 0.000 15.684 ( 0.000 0.000 0.000) 0.000 15.838 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 16.031 ( 0.000 0.000 -0.000) 0.000 16.058 ( 0.000 0.000 -0.000) 0.000 16.278 ( 0.000 0.000 -0.000) 0.000 16.308 ( -0.000 0.000 0.000) 0.000 16.311 ( 0.000 0.000 -0.000) 0.000 16.506 ( 0.000 0.000 0.000) 0.000 17.214 ( 0.000 0.000 0.000) 0.000 17.470 ( 0.000 0.000 -0.000) 0.000 17.729 ( -0.000 0.000 -0.000) 0.000 17.802 ( 0.000 0.000 0.000) 0.000 20.972 ( 0.000 0.000 0.000) 0.000 20.996 ( 0.000 0.000 0.000) 0.000 21.301 ( 0.000 0.000 0.000) 0.000 21.409 ( 0.000 0.000 0.000) 0.000 21.486 ( 0.000 0.000 -0.000) 0.000 21.539 ( 0.000 0.000 -0.000) 0.000 21.614 ( 0.000 0.000 -0.000) 0.000 21.737 ( 0.000 0.000 0.000) 0.000 22.235 ( 0.000 0.000 0.000) 0.000 22.254 ( 0.000 0.000 -0.000) 0.000 22.320 ( 0.000 0.000 0.000) 0.000 22.374 ( 0.000 0.000 -0.000) 0.000 22.571 ( 0.000 0.000 0.000) 0.000 22.851 ( 0.000 0.000 -0.000) 0.000 23.090 ( 0.000 0.000 -0.000) 0.000 23.137 ( -0.000 0.000 0.000) 0.000 23.685 ( 0.000 0.000 -0.000) 0.000 24.013 ( -0.000 0.000 0.000) 0.000 24.029 ( 0.000 0.000 0.000) 0.000 24.050 ( 0.000 0.000 -0.000) 0.000 24.195 ( 0.000 0.000 -0.000) 0.000 24.308 ( 0.000 0.000 0.000) 0.000 24.329 ( 0.000 0.000 -0.000) 0.000 24.343 ( 0.000 0.000 -0.000) 0.000 24.376 ( 0.000 0.000 0.000) 0.000 24.378 ( 0.000 0.000 0.000) 0.000 24.512 ( 0.000 0.000 -0.000) 0.000 24.635 ( 0.000 0.000 0.000) 0.000 25.136 ( 0.000 0.000 -0.000) 0.000 25.193 ( 0.000 0.000 -0.000) 0.000 25.545 ( 0.000 0.000 -0.000) 0.000 25.564 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 26.747 0.000) 26.747 0.636 ( 0.000 30.211 0.000) 30.211 1.065 ( 0.000 47.655 0.000) 47.655 1.733 ( 0.000 10.517 0.000) 10.517 1.737 ( 0.000 -4.173 0.000) 4.173 1.882 ( 0.000 8.145 0.000) 8.145 2.127 ( 0.000 -0.605 0.000) 0.605 2.164 ( 0.000 0.460 0.000) 0.460 2.322 ( 0.000 2.565 0.000) 2.565 2.375 ( 0.000 -10.688 0.000) 10.688 2.473 ( 0.000 -6.502 0.000) 6.502 2.503 ( 0.000 -3.206 0.000) 3.206 2.594 ( 0.000 3.441 0.000) 3.441 2.600 ( 0.000 -4.239 0.000) 4.239 2.771 ( 0.000 0.915 0.000) 0.915 2.798 ( 0.000 2.273 0.000) 2.273 2.857 ( 0.000 -2.915 0.000) 2.915 2.972 ( 0.000 -1.853 0.000) 1.853 3.006 ( 0.000 0.597 0.000) 0.597 3.101 ( 0.000 -5.965 0.000) 5.965 3.130 ( 0.000 -0.731 0.000) 0.731 3.176 ( 0.000 -2.208 0.000) 2.208 3.251 ( 0.000 -10.173 0.000) 10.173 3.271 ( 0.000 -8.146 0.000) 8.146 3.304 ( 0.000 3.917 0.000) 3.917 3.309 ( 0.000 -3.877 0.000) 3.877 3.490 ( 0.000 0.812 0.000) 0.812 3.542 ( 0.000 -3.444 0.000) 3.444 3.657 ( 0.000 -8.146 0.000) 8.146 3.682 ( 0.000 7.960 0.000) 7.960 3.805 ( 0.000 1.690 0.000) 1.690 3.850 ( 0.000 -3.963 0.000) 3.963 3.871 ( 0.000 13.286 0.000) 13.286 4.153 ( 0.000 -7.509 0.000) 7.509 4.286 ( 0.000 4.464 0.000) 4.464 4.399 ( 0.000 -4.746 0.000) 4.746 4.445 ( 0.000 6.598 0.000) 6.598 4.535 ( 0.000 9.195 0.000) 9.195 4.597 ( 0.000 -1.219 0.000) 1.219 4.661 ( 0.000 -9.600 0.000) 9.600 4.834 ( 0.000 -2.094 0.000) 2.094 4.905 ( 0.000 3.376 0.000) 3.376 5.021 ( 0.000 -6.877 0.000) 6.877 5.136 ( 0.000 -2.678 0.000) 2.678 5.167 ( 0.000 1.408 0.000) 1.408 5.235 ( 0.000 1.402 0.000) 1.402 5.297 ( 0.000 7.593 0.000) 7.593 5.384 ( 0.000 5.201 0.000) 5.201 5.422 ( 0.000 -0.568 0.000) 0.568 5.524 ( 0.000 -2.829 0.000) 2.829 5.528 ( 0.000 1.559 0.000) 1.559 5.667 ( 0.000 1.174 0.000) 1.174 5.737 ( 0.000 3.396 0.000) 3.396 5.921 ( 0.000 5.702 0.000) 5.702 6.034 ( 0.000 7.593 0.000) 7.593 6.049 ( 0.000 -3.245 0.000) 3.245 6.165 ( 0.000 -3.872 0.000) 3.872 6.205 ( 0.000 7.721 0.000) 7.721 6.469 ( 0.000 2.495 0.000) 2.495 6.625 ( 0.000 8.122 0.000) 8.122 6.628 ( 0.000 -2.784 0.000) 2.784 6.773 ( 0.000 -9.751 0.000) 9.751 6.796 ( 0.000 -11.203 0.000) 11.203 7.043 ( 0.000 0.678 0.000) 0.678 7.121 ( 0.000 -5.398 0.000) 5.398 7.214 ( 0.000 -0.094 0.000) 0.094 7.314 ( 0.000 -0.708 0.000) 0.708 7.373 ( 0.000 2.415 0.000) 2.415 7.419 ( 0.000 -3.043 0.000) 3.043 7.483 ( 0.000 10.285 0.000) 10.285 7.669 ( 0.000 -7.868 0.000) 7.868 7.782 ( 0.000 -4.542 0.000) 4.542 7.839 ( 0.000 -5.443 0.000) 5.443 7.901 ( 0.000 -5.302 0.000) 5.302 8.132 ( 0.000 5.099 0.000) 5.099 8.295 ( 0.000 -2.969 0.000) 2.969 8.416 ( 0.000 0.914 0.000) 0.914 8.416 ( 0.000 -1.183 0.000) 1.183 8.492 ( 0.000 -1.513 0.000) 1.513 8.494 ( 0.000 0.272 0.000) 0.272 8.648 ( 0.000 4.304 0.000) 4.304 8.779 ( 0.000 -0.206 0.000) 0.206 8.954 ( 0.000 -0.105 0.000) 0.105 9.052 ( 0.000 -5.956 0.000) 5.956 9.267 ( 0.000 2.092 0.000) 2.092 9.477 ( 0.000 -3.321 0.000) 3.321 9.627 ( 0.000 8.343 0.000) 8.343 9.669 ( 0.000 1.537 0.000) 1.537 9.872 ( 0.000 1.387 0.000) 1.387 10.005 ( 0.000 2.042 0.000) 2.042 10.056 ( 0.000 0.042 0.000) 0.042 10.239 ( 0.000 -3.524 0.000) 3.524 13.406 ( 0.000 2.530 0.000) 2.530 13.510 ( 0.000 0.745 0.000) 0.745 13.610 ( 0.000 -2.607 0.000) 2.607 13.656 ( 0.000 -2.008 0.000) 2.008 14.035 ( 0.000 3.736 0.000) 3.736 14.239 ( 0.000 1.776 0.000) 1.776 14.347 ( 0.000 -2.218 0.000) 2.218 14.465 ( 0.000 -3.583 0.000) 3.583 14.470 ( 0.000 -1.581 0.000) 1.581 14.566 ( 0.000 -5.186 0.000) 5.186 14.811 ( 0.000 0.169 0.000) 0.169 14.873 ( 0.000 -0.487 0.000) 0.487 14.880 ( 0.000 1.576 0.000) 1.576 14.892 ( 0.000 0.427 0.000) 0.427 15.097 ( 0.000 1.322 0.000) 1.322 15.194 ( 0.000 0.688 0.000) 0.688 15.276 ( 0.000 -1.978 0.000) 1.978 15.318 ( 0.000 3.433 0.000) 3.433 15.438 ( 0.000 6.611 0.000) 6.611 15.524 ( 0.000 -3.932 0.000) 3.932 15.800 ( 0.000 4.636 0.000) 4.636 15.840 ( 0.000 0.460 0.000) 0.460 16.028 ( 0.000 3.073 0.000) 3.073 16.205 ( 0.000 -2.616 0.000) 2.616 16.260 ( 0.000 -5.851 0.000) 5.851 16.311 ( 0.000 1.504 0.000) 1.504 16.421 ( 0.000 -3.135 0.000) 3.135 16.575 ( 0.000 -3.469 0.000) 3.469 16.800 ( 0.000 17.486 0.000) 17.486 17.436 ( 0.000 5.711 0.000) 5.711 17.750 ( 0.000 -7.193 0.000) 7.193 17.940 ( 0.000 -6.080 0.000) 6.080 21.019 ( 0.000 3.247 0.000) 3.247 21.151 ( 0.000 -0.328 0.000) 0.328 21.156 ( 0.000 1.946 0.000) 1.946 21.423 ( 0.000 -3.478 0.000) 3.478 21.513 ( 0.000 2.412 0.000) 2.412 21.737 ( 0.000 -3.352 0.000) 3.352 21.894 ( 0.000 4.466 0.000) 4.466 22.044 ( 0.000 0.033 0.000) 0.033 22.191 ( 0.000 -1.005 0.000) 1.005 22.253 ( 0.000 2.165 0.000) 2.165 22.363 ( 0.000 -1.515 0.000) 1.515 22.499 ( 0.000 1.999 0.000) 1.999 22.718 ( 0.000 -1.404 0.000) 1.404 22.821 ( 0.000 -7.685 0.000) 7.685 23.028 ( 0.000 1.081 0.000) 1.081 23.055 ( 0.000 2.803 0.000) 2.803 23.620 ( 0.000 -0.165 0.000) 0.165 23.770 ( 0.000 -4.974 0.000) 4.974 24.068 ( 0.000 1.076 0.000) 1.076 24.167 ( 0.000 1.219 0.000) 1.219 24.196 ( 0.000 -0.025 0.000) 0.025 24.213 ( 0.000 -2.416 0.000) 2.416 24.231 ( 0.000 1.571 0.000) 1.571 24.327 ( 0.000 -0.672 0.000) 0.672 24.361 ( 0.000 1.475 0.000) 1.475 24.416 ( 0.000 0.112 0.000) 0.112 24.840 ( 0.000 1.189 0.000) 1.189 24.895 ( 0.000 -0.557 0.000) 0.557 25.077 ( 0.000 0.271 0.000) 0.271 25.117 ( 0.000 1.732 0.000) 1.732 25.167 ( 0.000 -0.791 0.000) 0.791 25.208 ( 0.000 -1.351 0.000) 1.351 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 12.245 23.497 5.229) 27.007 0.812 ( 18.335 20.352 -2.204) 27.481 1.403 ( 29.786 32.408 0.187) 44.017 1.767 ( 0.701 11.703 0.761) 11.748 1.878 ( 1.377 3.123 -1.261) 3.639 1.909 ( 13.896 -3.607 -0.567) 14.368 2.073 ( -2.657 -2.621 1.640) 4.077 2.179 ( 3.992 -2.081 0.954) 4.602 2.323 ( -4.328 6.503 0.381) 7.821 2.412 ( 1.484 -6.071 2.616) 6.775 2.447 ( -2.778 -8.833 0.426) 9.270 2.521 ( 2.868 -1.333 -1.210) 3.386 2.549 ( -3.663 1.910 2.458) 4.807 2.583 ( -1.515 -3.007 -3.230) 4.666 2.725 ( -4.556 1.909 -2.815) 5.685 2.745 ( -4.801 -3.002 3.820) 6.830 2.855 ( 1.810 -0.929 -0.791) 2.183 2.941 ( -3.317 -1.635 -1.536) 4.004 2.975 ( -1.890 -2.723 -5.075) 6.062 3.043 ( -4.500 -1.765 5.509) 7.329 3.128 ( 2.741 -3.229 -0.496) 4.265 3.170 ( -3.507 0.571 2.685) 4.454 3.213 ( -2.910 -0.396 0.211) 2.944 3.294 ( -0.496 -4.205 -1.942) 4.658 3.325 ( -0.362 -1.201 -13.237) 13.296 3.376 ( 2.006 -2.144 1.897) 3.495 3.446 ( 3.894 -8.358 3.825) 9.982 3.511 ( -3.765 -2.179 0.053) 4.350 3.672 ( 1.987 2.469 0.668) 3.239 3.719 ( -3.251 -4.367 6.266) 8.301 3.739 ( 2.315 2.994 -1.510) 4.075 3.887 ( -0.131 2.649 -6.407) 6.934 4.042 ( 11.929 -1.876 2.665) 12.366 4.081 ( -1.652 2.014 5.416) 6.010 4.258 ( -1.036 6.661 -3.354) 7.530 4.413 ( 0.936 -1.035 0.585) 1.513 4.484 ( 2.664 1.055 0.438) 2.899 4.536 ( -0.381 3.628 3.282) 4.907 4.619 ( -12.175 -1.089 2.022) 12.390 4.691 ( 6.351 1.697 -4.164) 7.781 4.740 ( -4.481 -2.986 -1.832) 5.688 4.857 ( 0.390 -3.694 1.079) 3.869 4.997 ( -2.112 -2.454 -0.543) 3.283 5.081 ( -5.381 -0.235 1.698) 5.648 5.153 ( -1.607 0.771 -1.877) 2.589 5.236 ( -5.544 0.923 -2.556) 6.174 5.299 ( 2.516 3.470 -0.856) 4.371 5.343 ( 0.112 -0.443 0.378) 0.593 5.389 ( -2.287 2.672 1.966) 4.029 5.441 ( -1.908 2.324 1.201) 3.238 5.513 ( -2.826 -4.487 0.386) 5.317 5.703 ( 1.160 5.478 0.699) 5.643 5.761 ( 2.649 0.638 1.890) 3.316 5.824 ( -4.511 1.723 -1.888) 5.184 6.016 ( 0.257 3.455 -1.115) 3.639 6.179 ( 0.610 1.202 1.685) 2.158 6.191 ( 0.714 7.450 -1.857) 7.711 6.255 ( 11.024 -2.721 1.836) 11.503 6.453 ( 0.726 6.140 -1.653) 6.400 6.592 ( -0.965 0.237 -1.517) 1.813 6.637 ( -1.925 2.782 -1.780) 3.823 6.760 ( 1.405 -5.343 1.803) 5.812 6.872 ( 2.525 -12.698 -2.770) 13.240 7.014 ( -2.952 2.169 0.572) 3.708 7.075 ( -3.254 -3.795 -0.245) 5.005 7.200 ( -1.489 1.357 1.071) 2.282 7.241 ( -6.182 0.111 3.403) 7.058 7.356 ( 1.715 -1.902 -1.183) 2.821 7.482 ( 2.655 1.690 -2.337) 3.920 7.541 ( 2.096 1.382 2.324) 3.421 7.709 ( 0.415 -7.868 5.637) 9.687 7.777 ( 3.766 -5.812 -2.753) 7.452 7.902 ( 3.517 -1.404 -1.989) 4.277 8.004 ( 8.827 -4.964 0.189) 10.129 8.092 ( -4.325 6.034 2.311) 7.776 8.170 ( -5.141 4.268 2.071) 6.995 8.339 ( -2.169 0.369 3.611) 4.228 8.456 ( 0.670 -3.008 3.547) 4.699 8.505 ( -0.055 -0.015 0.051) 0.077 8.547 ( 2.018 -1.685 0.364) 2.654 8.659 ( -0.479 -1.955 -8.762) 8.990 8.781 ( -0.429 0.251 1.963) 2.025 9.000 ( -0.589 -2.981 -7.561) 8.148 9.068 ( 6.263 -1.617 -0.956) 6.539 9.161 ( -9.132 2.677 1.162) 9.587 9.464 ( -1.458 -4.431 0.844) 4.741 9.611 ( 0.387 8.112 -1.782) 8.314 9.661 ( -0.628 3.430 3.229) 4.753 9.890 ( 3.823 3.492 -0.485) 5.201 9.975 ( -2.194 1.890 -1.710) 3.363 10.023 ( -3.189 0.348 1.504) 3.543 10.217 ( -2.039 -3.233 -0.027) 3.823 13.406 ( 0.108 2.078 -0.232) 2.094 13.493 ( -1.538 0.458 -0.001) 1.605 13.582 ( -2.635 -2.186 -0.865) 3.531 13.618 ( -3.328 -1.408 0.271) 3.624 14.042 ( 0.492 3.390 -2.310) 4.132 14.265 ( 2.238 1.314 1.022) 2.789 14.332 ( -0.420 -1.355 -1.824) 2.311 14.450 ( -0.546 -3.070 1.928) 3.666 14.476 ( -0.484 -2.191 -0.864) 2.404 14.535 ( 0.246 -2.263 1.535) 2.746 14.738 ( -4.868 2.123 1.169) 5.438 14.784 ( -4.738 0.118 0.853) 4.816 14.921 ( 1.042 0.257 -0.550) 1.206 14.994 ( 6.484 -0.228 -1.483) 6.655 15.144 ( 3.202 0.799 0.511) 3.340 15.234 ( 2.766 1.176 0.783) 3.106 15.279 ( 1.375 -0.186 0.260) 1.412 15.388 ( 3.448 1.965 -2.466) 4.672 15.436 ( 4.195 3.494 0.618) 5.494 15.592 ( 4.114 -3.529 -1.491) 5.621 15.827 ( 1.627 4.634 1.434) 5.116 15.903 ( 3.529 -0.569 0.666) 3.636 15.994 ( -2.141 5.758 -1.290) 6.278 16.142 ( -4.259 -1.933 2.063) 5.112 16.317 ( -0.299 -1.700 -5.027) 5.315 16.402 ( 4.389 -3.772 0.179) 5.790 16.473 ( 4.924 -3.992 2.426) 6.787 16.537 ( -3.153 -2.965 1.884) 4.720 16.868 ( 6.757 11.507 -1.279) 13.406 17.450 ( 2.185 0.192 6.501) 6.861 17.701 ( -5.033 -6.606 0.648) 8.330 17.902 ( -3.738 -6.667 -1.261) 7.747 21.023 ( 0.374 3.483 -0.021) 3.503 21.126 ( -2.108 5.580 1.666) 6.193 21.183 ( 2.794 -0.072 -0.197) 2.802 21.415 ( -0.637 -2.722 1.360) 3.109 21.524 ( 0.831 1.288 -1.135) 1.907 21.664 ( -9.043 4.253 5.687) 11.498 21.770 ( -9.092 6.021 0.067) 10.905 21.864 ( -5.503 2.576 -9.942) 11.652 22.187 ( 2.272 1.824 -0.557) 2.967 22.257 ( 0.362 2.202 -0.675) 2.332 22.419 ( 1.393 1.582 0.415) 2.148 22.467 ( -2.780 2.455 0.003) 3.709 22.604 ( -6.160 0.426 -3.047) 6.886 22.769 ( 1.936 -0.800 2.530) 3.284 22.970 ( 1.167 -0.645 -1.011) 1.673 23.213 ( 0.736 -4.960 -0.331) 5.026 23.683 ( 1.755 -4.353 1.069) 4.814 23.784 ( 3.020 -5.284 -2.113) 6.443 24.019 ( -1.823 1.036 -6.363) 6.699 24.157 ( -1.102 -2.013 1.984) 3.033 24.193 ( -1.227 0.721 0.446) 1.491 24.219 ( 2.625 2.114 4.058) 5.275 24.277 ( 2.571 0.806 -2.147) 3.445 24.337 ( 0.716 -0.781 0.354) 1.117 24.392 ( 1.171 -0.553 -0.731) 1.487 24.413 ( -0.080 0.457 1.479) 1.550 24.650 ( -9.781 5.845 0.536) 11.407 24.788 ( -4.964 0.105 0.060) 4.965 25.094 ( 1.038 0.644 0.269) 1.250 25.128 ( 2.447 -0.272 -1.153) 2.718 25.280 ( 6.266 -0.203 -0.417) 6.283 25.500 ( 11.499 -12.134 3.017) 16.987 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 17.284 14.972 4.699) 23.344 1.197 ( 19.968 13.159 -1.063) 23.937 1.670 ( -7.298 10.188 -3.813) 13.099 1.930 ( 3.147 1.097 2.244) 4.018 1.954 ( 14.687 12.572 3.798) 19.703 2.028 ( -6.892 6.295 -0.777) 9.367 2.034 ( -2.919 -2.562 -0.676) 3.943 2.320 ( 8.167 -4.646 -2.021) 9.611 2.354 ( 5.635 -0.873 2.330) 6.160 2.378 ( -3.353 -6.039 7.630) 10.292 2.441 ( 3.384 -2.712 4.223) 6.054 2.453 ( 2.487 -4.229 -6.425) 8.084 2.509 ( 3.379 0.023 -1.455) 3.679 2.587 ( -6.832 -0.190 -5.453) 8.744 2.633 ( 2.053 -3.006 1.351) 3.883 2.706 ( 1.296 -2.904 -4.995) 5.921 2.826 ( -3.330 5.240 -1.519) 6.392 2.940 ( -0.327 -5.602 6.649) 8.700 2.996 ( -3.258 3.130 -0.624) 4.560 3.022 ( 4.908 3.041 1.976) 6.102 3.054 ( -0.929 -2.678 -0.068) 2.836 3.116 ( -0.919 -3.257 1.725) 3.798 3.218 ( 1.178 4.878 -6.491) 8.205 3.265 ( -5.052 -0.966 -3.140) 6.026 3.362 ( 2.296 -0.157 1.256) 2.622 3.414 ( 6.547 -2.822 -2.395) 7.521 3.455 ( -1.115 -1.455 0.026) 1.833 3.478 ( -1.594 -5.604 1.723) 6.076 3.583 ( -7.435 2.547 3.041) 8.427 3.665 ( -2.282 3.645 -0.367) 4.316 3.789 ( -5.686 1.087 -0.316) 5.798 3.933 ( 12.423 -4.355 -0.378) 13.170 4.060 ( -21.912 6.528 2.160) 22.966 4.197 ( 3.941 -0.381 0.449) 3.985 4.266 ( 3.921 6.152 0.018) 7.296 4.327 ( 4.043 1.529 -1.712) 4.649 4.427 ( 0.335 -4.742 0.746) 4.812 4.525 ( 1.829 3.179 -0.617) 3.719 4.574 ( 0.897 -0.419 3.443) 3.582 4.714 ( -0.892 -3.023 3.397) 4.634 4.787 ( 2.010 0.835 -4.744) 5.220 4.849 ( -1.612 -1.543 0.580) 2.306 4.950 ( -3.918 0.426 0.793) 4.020 4.993 ( -9.381 -1.459 -2.864) 9.916 5.022 ( -2.961 -4.955 -1.262) 5.908 5.123 ( -3.989 -1.505 -1.237) 4.440 5.316 ( -0.398 0.657 -1.039) 1.292 5.324 ( -3.175 -4.448 0.603) 5.498 5.389 ( 2.103 -5.695 1.128) 6.174 5.484 ( 1.982 -0.181 -1.859) 2.724 5.488 ( 2.258 2.724 3.610) 5.055 5.705 ( -1.340 0.220 3.681) 3.923 5.787 ( 0.976 4.253 -0.189) 4.368 5.835 ( 6.025 1.422 -4.525) 7.667 6.054 ( 1.475 -2.248 1.553) 3.105 6.134 ( -3.214 7.387 2.686) 8.492 6.238 ( 3.126 3.137 -3.789) 5.828 6.389 ( 1.746 3.553 2.439) 4.650 6.491 ( 1.443 4.625 -6.420) 8.043 6.550 ( -2.759 -4.326 1.918) 5.478 6.644 ( 3.938 1.960 2.659) 5.140 6.806 ( 2.106 2.330 -1.395) 3.436 6.890 ( -0.162 -7.951 -1.654) 8.123 6.930 ( -4.831 4.738 1.227) 6.877 7.046 ( 0.061 -1.969 -1.457) 2.450 7.152 ( -1.451 0.276 1.867) 2.380 7.171 ( -1.025 -0.263 0.201) 1.077 7.401 ( 1.296 1.669 -5.844) 6.214 7.449 ( -5.251 -2.352 5.184) 7.744 7.559 ( 1.101 -0.052 -1.378) 1.764 7.726 ( 1.043 -2.957 2.603) 4.075 7.867 ( 4.124 -8.750 0.675) 9.696 7.922 ( -2.335 9.565 5.616) 11.335 8.013 ( 0.990 -2.928 -3.970) 5.031 8.114 ( -2.099 2.469 0.917) 3.368 8.217 ( 8.911 -3.972 -0.619) 9.776 8.324 ( 0.673 -1.148 3.255) 3.517 8.461 ( -0.882 -1.571 0.443) 1.855 8.503 ( 0.104 0.464 -0.474) 0.671 8.548 ( -1.860 -0.760 2.771) 3.423 8.630 ( -1.438 -5.204 -1.058) 5.502 8.730 ( -3.032 -7.067 -4.349) 8.834 8.976 ( -6.083 2.378 2.356) 6.943 9.048 ( 2.530 1.915 -7.177) 7.847 9.196 ( 5.868 1.427 -2.357) 6.483 9.411 ( -4.001 -5.848 3.431) 7.873 9.647 ( 0.652 4.039 4.261) 5.907 9.665 ( 3.215 5.293 -2.872) 6.827 9.916 ( -4.038 2.067 -1.532) 4.788 9.949 ( -2.764 0.837 1.232) 3.140 9.994 ( 4.739 0.997 -0.070) 4.843 10.171 ( -2.433 -2.385 0.041) 3.408 13.417 ( 1.130 0.862 0.173) 1.432 13.463 ( -1.217 -0.209 -0.044) 1.235 13.522 ( -3.120 -1.216 -0.865) 3.459 13.547 ( -3.455 -0.729 0.253) 3.540 14.050 ( 0.301 3.464 -1.162) 3.666 14.306 ( 1.623 -0.765 1.701) 2.472 14.344 ( 1.272 0.254 -1.971) 2.360 14.443 ( -0.411 -3.628 1.065) 3.803 14.468 ( -0.270 -3.141 0.651) 3.219 14.551 ( 0.457 -2.781 -1.194) 3.061 14.662 ( -2.312 3.753 1.487) 4.652 14.705 ( -3.153 0.022 0.304) 3.168 14.922 ( -0.480 1.380 0.123) 1.466 15.105 ( 4.480 -0.212 -2.367) 5.072 15.174 ( -0.068 0.431 2.286) 2.328 15.282 ( 1.706 0.613 0.874) 2.013 15.349 ( 5.349 -0.274 0.049) 5.356 15.468 ( 5.548 3.065 -2.230) 6.719 15.539 ( 2.583 2.101 -2.742) 4.313 15.673 ( 6.343 -4.332 0.686) 7.712 15.845 ( -6.626 1.237 4.310) 8.000 15.904 ( 2.916 5.358 0.459) 6.117 15.972 ( 0.223 0.890 -0.822) 1.232 16.142 ( 3.228 5.546 -0.199) 6.420 16.285 ( -2.605 -1.759 -4.480) 5.473 16.397 ( -2.342 3.453 -1.786) 4.538 16.441 ( -3.980 2.407 2.095) 5.102 16.540 ( -0.769 -0.941 2.783) 3.037 17.044 ( 10.546 2.773 -2.178) 11.120 17.533 ( 5.331 -6.182 6.403) 10.375 17.564 ( -8.048 -5.274 1.361) 9.718 17.803 ( -6.142 -7.841 -2.742) 10.331 21.028 ( 0.081 3.988 0.138) 3.991 21.099 ( -0.468 8.536 0.919) 8.598 21.255 ( 4.158 -0.049 -0.134) 4.161 21.404 ( -0.465 -1.806 1.096) 2.163 21.503 ( -2.771 2.708 0.194) 3.879 21.559 ( -1.356 -0.371 -0.605) 1.531 21.661 ( -3.676 2.340 0.589) 4.398 21.774 ( -3.732 -0.079 -4.091) 5.538 22.237 ( 2.387 2.274 0.564) 3.344 22.265 ( 0.456 1.935 -1.081) 2.263 22.403 ( -1.894 5.986 0.256) 6.284 22.420 ( -2.017 1.402 -1.244) 2.753 22.544 ( -1.099 -2.960 -0.403) 3.183 22.813 ( 1.998 -1.687 1.836) 3.196 23.009 ( 2.612 -1.836 -0.484) 3.229 23.168 ( -3.887 -3.657 -0.506) 5.361 23.690 ( 0.204 -0.389 2.358) 2.398 23.878 ( 5.802 -5.358 -3.065) 8.472 24.006 ( 0.119 -1.105 -3.492) 3.664 24.104 ( -4.595 -2.379 0.907) 5.253 24.177 ( 0.321 0.655 0.609) 0.951 24.274 ( 1.466 -0.228 1.725) 2.275 24.327 ( 2.101 1.752 -0.116) 2.738 24.342 ( 0.446 0.456 -0.243) 0.683 24.395 ( -0.125 0.410 0.328) 0.540 24.424 ( 0.409 0.658 -0.160) 0.791 24.525 ( -3.295 2.593 0.911) 4.291 24.679 ( -5.537 -1.481 -0.170) 5.734 25.125 ( 1.603 0.602 0.351) 1.747 25.171 ( 1.718 -0.457 -1.043) 2.061 25.413 ( 6.883 -0.066 -1.017) 6.958 25.588 ( -0.388 -5.969 2.254) 6.392 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 0.000 8.317 0.000) 8.317 1.373 ( -0.000 8.594 -0.000) 8.594 1.653 ( 0.000 9.622 0.000) 9.622 1.702 ( 0.000 13.888 -0.000) 13.888 1.988 ( 0.000 -0.463 0.000) 0.463 2.031 ( 0.000 0.131 -0.000) 0.131 2.153 ( -0.000 3.318 -0.000) 3.318 2.223 ( 0.000 1.133 0.000) 1.133 2.326 ( 0.000 -5.844 -0.000) 5.844 2.441 ( 0.000 -7.655 -0.000) 7.655 2.454 ( 0.000 -2.655 -0.000) 2.655 2.461 ( 0.000 -4.511 0.000) 4.511 2.612 ( -0.000 -3.598 0.000) 3.598 2.617 ( 0.000 -4.033 -0.000) 4.033 2.677 ( 0.000 -11.598 -0.000) 11.598 2.785 ( 0.000 -7.373 0.000) 7.373 2.842 ( 0.000 8.160 -0.000) 8.160 2.889 ( 0.000 7.072 0.000) 7.072 3.028 ( 0.000 -2.045 -0.000) 2.045 3.065 ( -0.000 -1.494 0.000) 1.494 3.066 ( -0.000 6.404 -0.000) 6.404 3.080 ( 0.000 4.392 0.000) 4.392 3.237 ( 0.000 2.337 -0.000) 2.337 3.255 ( 0.000 -0.063 -0.000) 0.063 3.329 ( -0.000 0.704 0.000) 0.704 3.426 ( 0.000 -2.479 -0.000) 2.479 3.491 ( 0.000 9.032 -0.000) 9.032 3.546 ( 0.000 2.626 0.000) 2.626 3.562 ( 0.000 1.908 0.000) 1.908 3.586 ( 0.000 0.064 -0.000) 0.064 3.626 ( -0.000 2.019 0.000) 2.019 3.706 ( 0.000 0.061 0.000) 0.061 4.120 ( 0.000 1.446 0.000) 1.446 4.263 ( 0.000 2.835 -0.000) 2.835 4.302 ( 0.000 1.188 -0.000) 1.188 4.344 ( -0.000 -4.992 -0.000) 4.992 4.515 ( 0.000 -6.505 0.000) 6.505 4.537 ( 0.000 0.813 -0.000) 0.813 4.581 ( 0.000 4.039 0.000) 4.039 4.699 ( 0.000 -7.115 -0.000) 7.115 4.753 ( 0.000 1.348 0.000) 1.348 4.796 ( 0.000 1.470 -0.000) 1.470 4.896 ( 0.000 3.387 0.000) 3.387 4.920 ( 0.000 -4.267 -0.000) 4.267 4.976 ( 0.000 0.331 0.000) 0.331 5.111 ( 0.000 -10.523 -0.000) 10.523 5.288 ( -0.000 -0.799 0.000) 0.799 5.294 ( 0.000 -5.556 -0.000) 5.556 5.430 ( 0.000 -7.229 -0.000) 7.229 5.491 ( 0.000 1.222 -0.000) 1.222 5.522 ( 0.000 5.311 0.000) 5.311 5.685 ( 0.000 -3.214 -0.000) 3.214 5.809 ( 0.000 6.805 0.000) 6.805 5.962 ( 0.000 -2.967 -0.000) 2.967 6.017 ( -0.000 -2.053 0.000) 2.053 6.092 ( 0.000 7.073 -0.000) 7.073 6.281 ( 0.000 4.110 -0.000) 4.110 6.429 ( 0.000 8.099 0.000) 8.099 6.445 ( -0.000 -1.706 -0.000) 1.706 6.547 ( 0.000 6.898 -0.000) 6.898 6.696 ( 0.000 -5.650 -0.000) 5.650 6.811 ( 0.000 0.313 0.000) 0.313 6.882 ( 0.000 -2.457 -0.000) 2.457 6.886 ( 0.000 6.255 0.000) 6.255 7.043 ( 0.000 -0.152 0.000) 0.152 7.144 ( 0.000 3.784 0.000) 3.784 7.226 ( 0.000 -9.611 -0.000) 9.611 7.300 ( -0.000 1.904 0.000) 1.904 7.448 ( 0.000 3.105 -0.000) 3.105 7.569 ( 0.000 -0.647 -0.000) 0.647 7.737 ( 0.000 -1.493 0.000) 1.493 7.879 ( 0.000 7.952 0.000) 7.952 7.923 ( 0.000 -9.782 -0.000) 9.782 8.044 ( -0.000 -1.961 0.000) 1.961 8.079 ( 0.000 2.454 -0.000) 2.454 8.299 ( 0.000 -2.938 -0.000) 2.938 8.363 ( 0.000 -3.309 0.000) 3.309 8.450 ( 0.000 -1.006 0.000) 1.006 8.501 ( -0.000 -3.164 0.000) 3.164 8.506 ( 0.000 2.528 -0.000) 2.528 8.602 ( 0.000 -3.052 0.000) 3.052 8.721 ( 0.000 -13.742 -0.000) 13.742 8.899 ( 0.000 4.739 0.000) 4.739 9.086 ( 0.000 3.054 -0.000) 3.054 9.286 ( 0.000 0.929 0.000) 0.929 9.337 ( 0.000 -4.466 -0.000) 4.466 9.649 ( 0.000 5.202 0.000) 5.202 9.727 ( 0.000 0.111 -0.000) 0.111 9.846 ( 0.000 4.155 0.000) 4.155 9.921 ( 0.000 1.406 -0.000) 1.406 10.056 ( 0.000 -0.586 -0.000) 0.586 10.137 ( 0.000 -1.494 0.000) 1.494 13.445 ( 0.000 -0.952 0.000) 0.952 13.447 ( -0.000 -0.633 -0.000) 0.633 13.481 ( 0.000 0.473 0.000) 0.473 13.507 ( 0.000 -0.349 -0.000) 0.349 14.053 ( 0.000 3.548 -0.000) 3.548 14.324 ( 0.000 -1.986 0.000) 1.986 14.359 ( 0.000 1.346 -0.000) 1.346 14.436 ( 0.000 -3.521 -0.000) 3.521 14.464 ( 0.000 -3.912 -0.000) 3.912 14.551 ( 0.000 -2.321 0.000) 2.321 14.650 ( 0.000 3.425 -0.000) 3.425 14.670 ( 0.000 0.140 -0.000) 0.140 14.916 ( 0.000 1.957 0.000) 1.957 15.154 ( 0.000 3.935 -0.000) 3.935 15.166 ( 0.000 -3.954 0.000) 3.954 15.299 ( 0.000 0.833 -0.000) 0.833 15.429 ( -0.000 -1.325 0.000) 1.325 15.488 ( 0.000 -1.059 0.000) 1.059 15.638 ( 0.000 9.448 0.000) 9.448 15.695 ( 0.000 -1.042 -0.000) 1.042 15.769 ( 0.000 -4.641 0.000) 4.641 15.948 ( 0.000 4.773 -0.000) 4.773 15.975 ( 0.000 0.091 0.000) 0.091 16.189 ( 0.000 7.088 -0.000) 7.088 16.238 ( 0.000 -2.850 -0.000) 2.850 16.381 ( 0.000 5.787 0.000) 5.787 16.390 ( 0.000 6.647 -0.000) 6.647 16.515 ( 0.000 0.530 0.000) 0.530 17.195 ( 0.000 -1.231 0.000) 1.231 17.432 ( 0.000 -3.522 -0.000) 3.522 17.648 ( -0.000 -6.853 -0.000) 6.853 17.689 ( 0.000 -9.465 0.000) 9.465 21.028 ( 0.000 4.194 0.000) 4.194 21.098 ( 0.000 9.036 0.000) 9.036 21.307 ( 0.000 -0.081 0.000) 0.081 21.401 ( 0.000 -1.047 0.000) 1.047 21.486 ( 0.000 0.041 -0.000) 0.041 21.517 ( -0.000 -1.582 -0.000) 1.582 21.639 ( 0.000 2.075 -0.000) 2.075 21.731 ( 0.000 -0.552 0.000) 0.552 22.267 ( 0.000 1.362 0.000) 1.362 22.268 ( -0.000 2.694 -0.000) 2.694 22.386 ( 0.000 6.303 -0.000) 6.303 22.390 ( 0.000 1.315 0.000) 1.315 22.536 ( 0.000 -3.084 0.000) 3.084 22.835 ( 0.000 -1.807 -0.000) 1.807 23.052 ( 0.000 -3.157 -0.000) 3.157 23.109 ( 0.000 -2.557 0.000) 2.557 23.694 ( 0.000 1.080 -0.000) 1.080 23.987 ( -0.000 -5.722 0.000) 5.722 24.005 ( 0.000 -0.886 -0.000) 0.886 24.009 ( 0.000 -1.579 0.000) 1.579 24.188 ( 0.000 -0.132 -0.000) 0.132 24.269 ( 0.000 -1.932 0.000) 1.932 24.343 ( 0.000 1.463 -0.000) 1.463 24.390 ( 0.000 2.452 -0.000) 2.452 24.391 ( -0.000 1.195 0.000) 1.195 24.394 ( -0.000 1.330 0.000) 1.330 24.517 ( 0.000 0.392 -0.000) 0.392 24.608 ( 0.000 -2.327 0.000) 2.327 25.143 ( 0.000 0.596 -0.000) 0.596 25.188 ( 0.000 -0.448 -0.000) 0.448 25.524 ( 0.000 -1.719 -0.000) 1.719 25.538 ( -0.000 -2.107 0.000) 2.107 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 24.414 0.000) 24.414 1.229 ( 0.000 26.532 0.000) 26.532 1.532 ( 0.000 -16.720 0.000) 16.720 1.632 ( 0.000 -4.747 0.000) 4.747 1.964 ( 0.000 10.048 0.000) 10.048 2.130 ( 0.000 10.935 0.000) 10.935 2.147 ( 0.000 7.312 0.000) 7.312 2.148 ( 0.000 -9.061 0.000) 9.061 2.225 ( 0.000 -5.405 0.000) 5.405 2.312 ( 0.000 17.267 0.000) 17.267 2.444 ( 0.000 -1.976 0.000) 1.976 2.510 ( 0.000 6.412 0.000) 6.412 2.521 ( 0.000 -3.554 0.000) 3.554 2.749 ( 0.000 6.551 0.000) 6.551 2.759 ( 0.000 -5.311 0.000) 5.311 2.839 ( 0.000 1.692 0.000) 1.692 2.845 ( 0.000 0.773 0.000) 0.773 2.867 ( 0.000 0.642 0.000) 0.642 2.942 ( 0.000 0.644 0.000) 0.644 2.989 ( 0.000 -14.090 0.000) 14.090 3.017 ( 0.000 2.689 0.000) 2.689 3.051 ( 0.000 -10.239 0.000) 10.239 3.084 ( 0.000 -11.259 0.000) 11.259 3.181 ( 0.000 -10.790 0.000) 10.790 3.209 ( 0.000 4.558 0.000) 4.558 3.351 ( 0.000 -12.788 0.000) 12.788 3.439 ( 0.000 3.598 0.000) 3.598 3.483 ( 0.000 -2.400 0.000) 2.400 3.565 ( 0.000 8.383 0.000) 8.383 3.750 ( 0.000 -7.223 0.000) 7.223 3.837 ( 0.000 5.107 0.000) 5.107 3.977 ( 0.000 -8.354 0.000) 8.354 3.987 ( 0.000 15.399 0.000) 15.399 4.144 ( 0.000 12.860 0.000) 12.860 4.262 ( 0.000 -9.744 0.000) 9.744 4.379 ( 0.000 4.575 0.000) 4.575 4.400 ( 0.000 -11.959 0.000) 11.959 4.505 ( 0.000 -8.023 0.000) 8.023 4.625 ( 0.000 10.016 0.000) 10.016 4.705 ( 0.000 6.327 0.000) 6.327 4.771 ( 0.000 -3.089 0.000) 3.089 4.849 ( 0.000 -8.774 0.000) 8.774 5.010 ( 0.000 6.223 0.000) 6.223 5.116 ( 0.000 -2.701 0.000) 2.701 5.260 ( 0.000 1.981 0.000) 1.981 5.266 ( 0.000 4.501 0.000) 4.501 5.385 ( 0.000 -4.225 0.000) 4.225 5.393 ( 0.000 -2.186 0.000) 2.186 5.518 ( 0.000 2.741 0.000) 2.741 5.525 ( 0.000 9.678 0.000) 9.678 5.554 ( 0.000 2.710 0.000) 2.710 5.717 ( 0.000 -4.315 0.000) 4.315 5.767 ( 0.000 8.215 0.000) 8.215 5.943 ( 0.000 -7.219 0.000) 7.219 5.992 ( 0.000 3.715 0.000) 3.715 6.079 ( 0.000 -4.215 0.000) 4.215 6.227 ( 0.000 8.287 0.000) 8.287 6.372 ( 0.000 -7.700 0.000) 7.700 6.431 ( 0.000 5.063 0.000) 5.063 6.537 ( 0.000 -9.222 0.000) 9.222 6.562 ( 0.000 3.037 0.000) 3.037 6.690 ( 0.000 0.051 0.000) 0.051 6.930 ( 0.000 13.892 0.000) 13.892 7.001 ( 0.000 -2.089 0.000) 2.089 7.036 ( 0.000 -3.027 0.000) 3.027 7.171 ( 0.000 -6.410 0.000) 6.410 7.285 ( 0.000 -0.066 0.000) 0.066 7.348 ( 0.000 -3.917 0.000) 3.917 7.392 ( 0.000 0.006 0.000) 0.006 7.451 ( 0.000 -8.787 0.000) 8.787 7.675 ( 0.000 6.654 0.000) 6.654 7.718 ( 0.000 -1.155 0.000) 1.155 7.768 ( 0.000 -1.211 0.000) 1.211 7.816 ( 0.000 -3.522 0.000) 3.522 8.184 ( 0.000 0.912 0.000) 0.912 8.226 ( 0.000 -3.285 0.000) 3.285 8.399 ( 0.000 0.548 0.000) 0.548 8.419 ( 0.000 -0.835 0.000) 0.835 8.502 ( 0.000 0.789 0.000) 0.789 8.504 ( 0.000 0.985 0.000) 0.985 8.725 ( 0.000 2.293 0.000) 2.293 8.754 ( 0.000 -1.374 0.000) 1.374 8.955 ( 0.000 -0.088 0.000) 0.088 8.965 ( 0.000 -1.958 0.000) 1.958 9.321 ( 0.000 3.141 0.000) 3.141 9.397 ( 0.000 -4.060 0.000) 4.060 9.706 ( 0.000 1.760 0.000) 1.760 9.724 ( 0.000 0.791 0.000) 0.791 9.971 ( 0.000 7.670 0.000) 7.670 10.042 ( 0.000 1.351 0.000) 1.351 10.054 ( 0.000 -0.344 0.000) 0.344 10.132 ( 0.000 -6.673 0.000) 6.673 13.473 ( 0.000 3.618 0.000) 3.618 13.540 ( 0.000 2.201 0.000) 2.201 13.546 ( 0.000 -3.425 0.000) 3.425 13.599 ( 0.000 -3.203 0.000) 3.203 14.141 ( 0.000 6.165 0.000) 6.165 14.268 ( 0.000 -5.452 0.000) 5.452 14.292 ( 0.000 3.417 0.000) 3.417 14.379 ( 0.000 -4.667 0.000) 4.667 14.447 ( 0.000 -0.231 0.000) 0.231 14.471 ( 0.000 -2.870 0.000) 2.870 14.829 ( 0.000 1.336 0.000) 1.336 14.856 ( 0.000 -1.148 0.000) 1.148 14.898 ( 0.000 0.278 0.000) 0.278 14.898 ( 0.000 0.158 0.000) 0.158 15.132 ( 0.000 2.026 0.000) 2.026 15.179 ( 0.000 -2.212 0.000) 2.212 15.282 ( 0.000 2.637 0.000) 2.637 15.344 ( 0.000 -2.207 0.000) 2.207 15.509 ( 0.000 2.982 0.000) 2.982 15.544 ( 0.000 1.853 0.000) 1.853 15.844 ( 0.000 0.769 0.000) 0.769 15.863 ( 0.000 0.630 0.000) 0.630 16.130 ( 0.000 6.109 0.000) 6.109 16.159 ( 0.000 -1.010 0.000) 1.010 16.183 ( 0.000 -1.738 0.000) 1.738 16.276 ( 0.000 -5.755 0.000) 5.755 16.405 ( 0.000 2.772 0.000) 2.772 16.487 ( 0.000 -4.568 0.000) 4.568 17.181 ( 0.000 18.395 0.000) 18.395 17.526 ( 0.000 -14.326 0.000) 14.326 17.591 ( 0.000 8.809 0.000) 8.809 17.779 ( 0.000 -8.918 0.000) 8.918 21.094 ( 0.000 3.287 0.000) 3.287 21.138 ( 0.000 -1.124 0.000) 1.124 21.217 ( 0.000 4.177 0.000) 4.177 21.325 ( 0.000 -5.598 0.000) 5.598 21.581 ( 0.000 3.920 0.000) 3.920 21.663 ( 0.000 -3.867 0.000) 3.867 21.983 ( 0.000 3.745 0.000) 3.745 22.034 ( 0.000 -1.220 0.000) 1.220 22.189 ( 0.000 1.228 0.000) 1.228 22.242 ( 0.000 -3.151 0.000) 3.151 22.407 ( 0.000 5.783 0.000) 5.783 22.514 ( 0.000 -2.239 0.000) 2.239 22.683 ( 0.000 -1.725 0.000) 1.725 22.685 ( 0.000 -3.677 0.000) 3.677 23.057 ( 0.000 1.605 0.000) 1.605 23.080 ( 0.000 -0.237 0.000) 0.237 23.625 ( 0.000 0.920 0.000) 0.920 23.672 ( 0.000 -3.780 0.000) 3.780 24.101 ( 0.000 2.103 0.000) 2.103 24.152 ( 0.000 -2.722 0.000) 2.722 24.189 ( 0.000 0.463 0.000) 0.463 24.195 ( 0.000 -0.118 0.000) 0.118 24.269 ( 0.000 1.967 0.000) 1.967 24.306 ( 0.000 -1.416 0.000) 1.416 24.393 ( 0.000 1.436 0.000) 1.436 24.414 ( 0.000 -0.480 0.000) 0.480 24.864 ( 0.000 0.999 0.000) 0.999 24.881 ( 0.000 -0.755 0.000) 0.755 25.098 ( 0.000 1.629 0.000) 1.629 25.137 ( 0.000 -1.955 0.000) 1.955 25.152 ( 0.000 1.523 0.000) 1.523 25.180 ( 0.000 -1.287 0.000) 1.287 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 10.340 19.491 1.876) 22.144 1.256 ( 5.146 19.922 1.102) 20.605 1.718 ( 14.802 -11.149 0.326) 18.534 1.769 ( 12.125 -6.980 0.719) 14.009 1.939 ( -1.844 1.636 0.751) 2.577 1.987 ( -3.026 -2.095 -0.725) 3.752 2.109 ( 1.271 11.854 0.005) 11.922 2.251 ( -5.193 12.674 0.357) 13.702 2.334 ( 2.000 -4.383 3.582) 6.004 2.350 ( -1.042 -1.245 -3.587) 3.938 2.437 ( 4.891 3.695 1.641) 6.345 2.488 ( 1.928 -0.930 5.185) 5.609 2.517 ( 0.548 5.040 -4.568) 6.824 2.661 ( -8.334 0.020 -2.709) 8.763 2.698 ( -6.269 3.311 2.486) 7.513 2.751 ( -2.815 -1.501 0.646) 3.255 2.823 ( -1.699 -3.413 3.423) 5.123 2.848 ( -2.305 1.427 1.192) 2.961 2.932 ( -0.590 -0.775 0.858) 1.298 2.983 ( 3.842 -4.683 -3.658) 7.076 3.065 ( 2.439 -0.437 -3.141) 4.001 3.109 ( 4.471 -1.743 -5.372) 7.203 3.159 ( 4.918 -6.159 -0.491) 7.897 3.242 ( 2.943 -0.514 -2.916) 4.174 3.292 ( 3.139 -7.525 0.699) 8.184 3.322 ( 1.600 -5.710 -1.195) 6.050 3.445 ( -1.317 1.455 -0.950) 2.181 3.466 ( 1.885 0.439 2.484) 3.149 3.553 ( -0.396 -1.574 -1.141) 1.984 3.645 ( -6.199 -3.780 4.648) 8.621 3.795 ( -1.366 3.255 1.480) 3.827 3.901 ( -2.790 -4.953 1.424) 5.860 4.104 ( -3.490 9.438 0.970) 10.109 4.202 ( 12.051 9.278 -2.290) 15.380 4.297 ( -3.034 -6.860 -0.810) 7.545 4.356 ( 6.895 -2.698 -0.424) 7.416 4.517 ( 0.612 -0.090 3.061) 3.123 4.536 ( 1.658 -3.012 1.528) 3.763 4.614 ( 2.125 3.619 -0.424) 4.218 4.679 ( -0.608 0.161 -1.557) 1.679 4.783 ( -1.057 1.327 -3.749) 4.115 4.813 ( -6.052 -0.448 1.268) 6.199 4.912 ( -3.341 0.009 -0.975) 3.480 5.030 ( -8.048 -6.406 0.001) 10.286 5.204 ( -6.431 3.723 1.499) 7.581 5.292 ( -3.443 -1.448 2.465) 4.475 5.322 ( -1.871 1.108 -0.715) 2.289 5.364 ( -2.479 -0.151 -6.310) 6.781 5.429 ( -6.919 4.975 0.877) 8.567 5.481 ( -3.064 0.739 1.345) 3.427 5.513 ( -0.639 4.099 0.057) 4.148 5.661 ( -5.151 -7.483 -0.863) 9.125 5.821 ( -0.229 6.622 -0.561) 6.649 5.919 ( 4.497 0.463 1.868) 4.891 6.033 ( -1.410 3.084 1.202) 3.597 6.135 ( 7.107 -4.143 3.122) 8.799 6.276 ( 3.303 6.376 -0.370) 7.190 6.392 ( 1.400 -4.089 3.757) 5.727 6.464 ( 3.316 1.014 -5.145) 6.204 6.531 ( -0.484 4.972 -0.414) 5.013 6.573 ( 2.879 -9.970 -4.060) 11.144 6.688 ( -0.795 -1.842 3.951) 4.432 6.936 ( 0.534 12.955 0.088) 12.967 7.005 ( 0.189 -0.065 -1.722) 1.733 7.039 ( -0.526 -0.942 -3.218) 3.394 7.177 ( -2.618 -6.652 -0.006) 7.149 7.226 ( -2.442 0.473 2.848) 3.781 7.277 ( 0.914 -4.684 1.266) 4.937 7.491 ( 5.790 -0.246 -2.890) 6.476 7.532 ( 2.777 -4.621 0.350) 5.402 7.653 ( -1.571 2.070 0.468) 2.640 7.685 ( -1.077 -0.436 -0.197) 1.178 7.856 ( 6.596 -0.952 -0.670) 6.698 7.910 ( 8.013 -4.102 1.601) 9.143 8.180 ( -1.212 2.033 1.270) 2.686 8.199 ( -1.959 -0.356 4.568) 4.983 8.355 ( -2.650 0.711 0.527) 2.794 8.379 ( -1.605 -2.306 1.598) 3.232 8.505 ( -1.145 0.525 0.309) 1.297 8.522 ( 0.025 -0.921 -0.682) 1.147 8.689 ( -3.256 2.860 -1.771) 4.682 8.747 ( -2.955 -2.659 2.186) 4.536 8.973 ( 2.392 0.358 -6.612) 7.041 9.011 ( 5.222 -2.914 -3.786) 7.077 9.253 ( -5.793 5.299 1.811) 8.057 9.363 ( -3.327 -5.237 0.678) 6.241 9.721 ( 1.079 1.995 1.998) 3.022 9.725 ( 0.530 2.205 -0.176) 2.275 9.981 ( 0.952 5.703 0.022) 5.782 10.012 ( -2.421 1.206 -1.394) 3.043 10.030 ( -2.290 0.397 0.824) 2.466 10.120 ( -0.998 -5.921 0.287) 6.011 13.460 ( -1.138 2.864 -0.313) 3.098 13.505 ( -2.560 -0.288 0.487) 2.622 13.539 ( -1.296 -0.760 -1.126) 1.877 13.573 ( -2.349 -2.575 0.011) 3.485 14.142 ( 0.174 5.847 -0.591) 5.880 14.257 ( -0.519 -4.375 0.344) 4.419 14.319 ( 2.231 2.364 -0.445) 3.280 14.384 ( 0.392 -3.351 1.276) 3.607 14.441 ( -0.694 -0.691 -1.116) 1.484 14.462 ( -0.188 -2.985 0.268) 3.003 14.777 ( -3.586 1.419 1.221) 4.045 14.792 ( -4.591 0.049 1.652) 4.880 14.938 ( 2.391 1.428 0.203) 2.792 14.973 ( 4.847 -1.667 0.135) 5.128 15.165 ( 3.156 1.371 0.476) 3.473 15.202 ( 2.315 -2.212 -0.122) 3.205 15.332 ( 4.224 3.159 -1.904) 5.608 15.389 ( 3.897 -1.951 -2.892) 5.231 15.501 ( 1.115 3.544 1.359) 3.956 15.569 ( 1.237 -1.450 -0.738) 2.044 15.894 ( 3.994 1.852 1.258) 4.579 15.910 ( 2.818 1.749 2.114) 3.933 16.096 ( -3.024 2.992 -1.107) 4.396 16.158 ( 2.494 -0.029 -2.020) 3.209 16.243 ( 4.276 0.462 1.088) 4.437 16.362 ( 6.239 -6.014 -0.614) 8.687 16.404 ( 0.736 1.718 0.592) 1.961 16.467 ( -1.354 -3.554 1.151) 3.974 17.175 ( -0.372 16.465 -0.996) 16.499 17.492 ( -3.370 -13.130 -1.551) 13.644 17.550 ( -3.684 7.557 2.947) 8.909 17.731 ( -4.718 -9.181 0.430) 10.331 21.109 ( 1.315 4.011 -0.133) 4.223 21.164 ( 2.528 -1.310 0.157) 2.851 21.220 ( 0.474 4.206 0.963) 4.341 21.325 ( 0.068 -5.430 1.077) 5.536 21.573 ( -0.830 3.188 -0.261) 3.305 21.640 ( -2.475 -2.954 1.006) 3.983 21.879 ( -9.404 2.896 0.442) 9.850 21.901 ( -8.499 0.537 -4.684) 9.719 22.233 ( 3.338 2.769 1.046) 4.461 22.285 ( 1.917 -1.047 0.190) 2.192 22.432 ( 1.737 2.589 -1.797) 3.598 22.499 ( -1.357 -1.619 -1.270) 2.465 22.628 ( -3.608 2.715 -0.930) 4.611 22.710 ( 1.301 -4.480 3.354) 5.745 23.007 ( -1.753 4.129 -0.809) 4.558 23.107 ( -0.341 -5.133 0.074) 5.145 23.640 ( 1.965 0.297 0.276) 2.007 23.686 ( 2.118 -3.864 -0.130) 4.409 24.050 ( -3.178 2.088 -4.233) 5.690 24.102 ( -2.902 -2.851 -1.559) 4.357 24.213 ( 0.804 1.141 1.800) 2.277 24.234 ( 1.918 -0.603 3.360) 3.915 24.307 ( 3.096 1.806 -0.471) 3.615 24.334 ( 1.735 -0.513 0.482) 1.872 24.394 ( 0.278 0.761 -0.993) 1.282 24.412 ( 0.036 -0.604 0.464) 0.763 24.737 ( -9.477 2.913 0.049) 9.914 24.778 ( -7.213 -1.171 0.087) 7.308 25.107 ( 1.250 0.597 -0.383) 1.437 25.120 ( 1.774 -0.562 -0.843) 2.043 25.287 ( 7.807 1.192 0.454) 7.910 25.340 ( 10.107 -4.387 1.465) 11.114 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 9.966 15.679 3.275) 18.865 1.469 ( 12.004 9.855 1.027) 15.566 1.851 ( -1.474 3.122 -2.073) 4.027 1.902 ( 3.160 -3.814 -0.908) 5.036 2.031 ( 2.973 3.746 0.593) 4.819 2.094 ( 12.393 -4.908 4.046) 13.930 2.165 ( 0.246 -2.552 -6.134) 6.648 2.182 ( -0.594 4.698 -1.290) 4.908 2.188 ( -5.661 -1.161 9.432) 11.062 2.312 ( -0.021 -6.625 -0.094) 6.625 2.413 ( -8.752 1.216 1.629) 8.985 2.446 ( -4.791 0.530 -0.855) 4.896 2.490 ( -3.485 -2.537 -3.249) 5.398 2.511 ( -5.645 -6.583 -3.573) 9.379 2.635 ( -3.570 1.462 2.306) 4.494 2.670 ( -5.728 -1.233 -0.817) 5.916 2.927 ( 6.930 -0.967 0.493) 7.015 2.936 ( 9.053 3.252 3.997) 10.416 2.953 ( 5.339 5.256 -2.136) 7.791 3.068 ( 4.663 1.012 -0.403) 4.789 3.116 ( 3.508 7.287 -4.464) 9.237 3.155 ( -3.834 3.628 2.977) 6.060 3.188 ( 2.214 -2.504 2.358) 4.091 3.267 ( -0.304 -5.364 -3.611) 6.473 3.335 ( 8.132 -0.994 -3.284) 8.826 3.395 ( 0.197 -2.870 -1.757) 3.371 3.444 ( 0.065 8.169 -0.087) 8.170 3.487 ( 5.281 4.929 1.186) 7.321 3.600 ( 1.492 -2.497 5.459) 6.186 3.710 ( 13.081 -12.121 1.151) 17.871 3.782 ( -1.204 2.803 -0.133) 3.053 3.843 ( -2.935 1.216 -3.194) 4.505 4.054 ( 0.881 -3.073 0.869) 3.313 4.219 ( -5.634 -11.949 -0.329) 13.215 4.283 ( -19.270 13.524 -0.255) 23.543 4.404 ( 4.176 5.834 0.356) 7.184 4.479 ( -0.018 3.194 0.119) 3.196 4.534 ( -1.047 1.536 1.620) 2.465 4.573 ( -1.545 -4.571 -1.037) 4.935 4.650 ( -1.664 -2.205 0.361) 2.786 4.791 ( -0.876 -1.333 -1.637) 2.286 4.817 ( 4.836 -2.551 0.688) 5.511 4.855 ( -4.537 -3.035 -0.937) 5.539 4.915 ( 0.081 -4.285 -2.411) 4.918 5.042 ( -7.391 4.951 2.033) 9.126 5.131 ( -9.529 -0.878 1.705) 9.720 5.271 ( -3.910 -0.683 -0.660) 4.024 5.285 ( -5.696 -2.058 0.505) 6.077 5.334 ( -1.259 4.162 0.732) 4.409 5.511 ( 4.441 -0.673 -0.948) 4.590 5.531 ( -3.009 -5.995 -2.968) 7.335 5.590 ( 2.886 -1.400 -1.530) 3.554 5.822 ( 0.831 4.736 0.279) 4.817 5.936 ( -2.090 -5.172 1.603) 5.804 6.088 ( 4.457 11.834 2.483) 12.887 6.231 ( 2.492 -0.120 2.970) 3.878 6.329 ( 2.233 4.061 -1.505) 4.873 6.403 ( -0.244 -3.055 1.592) 3.453 6.526 ( 2.032 2.710 -1.045) 3.545 6.576 ( 6.211 4.640 -2.601) 8.177 6.623 ( -1.478 -6.126 2.684) 6.850 6.713 ( 6.134 -5.404 -3.728) 8.984 6.920 ( -3.566 6.394 0.470) 7.337 7.002 ( 0.325 3.317 -1.593) 3.693 7.018 ( -1.666 -2.193 -1.779) 3.279 7.076 ( -4.184 -4.264 3.565) 6.956 7.233 ( 0.702 3.629 0.353) 3.713 7.346 ( 3.102 -6.146 -2.299) 7.258 7.497 ( -3.239 6.343 -0.069) 7.122 7.577 ( 2.877 1.338 -2.338) 3.942 7.658 ( -0.257 -5.514 0.382) 5.533 7.695 ( 2.550 -4.920 0.907) 5.615 7.971 ( 4.858 1.481 1.606) 5.327 8.069 ( 6.233 -2.947 2.876) 7.470 8.131 ( -1.350 4.238 0.537) 4.480 8.194 ( 0.675 1.271 3.635) 3.909 8.310 ( -1.875 0.450 0.209) 1.940 8.389 ( 1.805 -6.006 0.849) 6.329 8.459 ( -2.681 -0.255 -0.371) 2.718 8.494 ( -2.404 -3.357 -0.387) 4.147 8.604 ( -4.790 1.594 -1.637) 5.307 8.644 ( -6.385 -2.564 -1.026) 6.956 9.025 ( -1.063 2.352 -0.005) 2.581 9.063 ( 1.267 -0.831 -5.176) 5.394 9.228 ( 4.460 2.258 -0.680) 5.045 9.299 ( -1.983 -4.626 1.663) 5.301 9.723 ( -0.442 2.915 2.145) 3.646 9.743 ( 0.234 1.389 -0.375) 1.458 9.964 ( -2.481 1.521 -0.831) 3.026 9.970 ( -1.766 0.949 -0.276) 2.024 10.023 ( 1.896 2.585 0.626) 3.266 10.102 ( -0.818 -4.098 0.275) 4.187 13.438 ( -0.889 1.070 -0.103) 1.395 13.457 ( -2.082 -0.616 0.183) 2.179 13.506 ( -1.630 0.054 -0.697) 1.774 13.524 ( -2.279 -1.316 -0.072) 2.633 14.148 ( 0.358 5.621 -0.393) 5.647 14.256 ( 0.354 -4.177 0.213) 4.197 14.364 ( 1.999 1.190 0.773) 2.451 14.388 ( -0.065 -1.653 1.217) 2.054 14.424 ( -0.952 -0.247 -1.118) 1.489 14.470 ( 0.679 -3.956 -1.584) 4.315 14.712 ( -3.035 0.961 1.559) 3.545 14.715 ( -2.547 0.636 0.942) 2.789 14.968 ( 0.795 3.093 0.421) 3.221 15.046 ( 2.282 -4.102 0.578) 4.729 15.222 ( 2.401 2.965 -0.502) 3.849 15.271 ( 3.747 -1.617 -0.171) 4.084 15.392 ( 1.910 3.594 0.149) 4.072 15.458 ( 1.813 -2.300 -2.034) 3.566 15.581 ( 5.645 0.331 -1.796) 5.933 15.607 ( 4.270 -2.299 -0.072) 4.850 15.894 ( -2.809 4.721 3.376) 6.448 15.968 ( 0.939 -0.999 1.404) 1.962 16.057 ( -0.371 6.780 -1.056) 6.872 16.197 ( -1.286 -5.478 -3.061) 6.405 16.302 ( 3.556 8.136 -0.007) 8.879 16.438 ( 2.376 -0.291 1.302) 2.725 16.470 ( 3.899 -2.007 -1.011) 4.501 16.493 ( 3.440 -1.439 2.150) 4.304 17.180 ( 1.258 10.131 -1.741) 10.356 17.404 ( -5.210 -10.057 -0.496) 11.337 17.486 ( -1.835 2.438 2.957) 4.249 17.615 ( -6.520 -8.974 -0.036) 11.092 21.133 ( 0.878 5.654 0.044) 5.721 21.224 ( 3.102 -0.954 0.848) 3.354 21.247 ( 2.237 3.149 0.154) 3.866 21.333 ( 1.087 -4.354 1.090) 4.618 21.539 ( -3.145 1.561 0.391) 3.533 21.565 ( -4.845 -0.463 0.522) 4.895 21.722 ( -4.872 3.008 -0.957) 5.805 21.765 ( -5.152 -1.070 -3.119) 6.117 22.287 ( 2.058 2.441 1.990) 3.762 22.309 ( 0.839 1.153 -0.737) 1.605 22.436 ( -1.315 0.792 -1.924) 2.462 22.474 ( -1.130 -2.843 -1.763) 3.531 22.574 ( -1.380 8.737 0.386) 8.854 22.737 ( 1.175 -6.176 2.154) 6.646 22.997 ( 0.386 1.657 -0.482) 1.768 23.073 ( -2.333 -4.904 -0.209) 5.434 23.698 ( 3.429 1.647 1.266) 4.009 23.766 ( 5.607 -4.758 -0.400) 7.365 24.001 ( -1.794 0.864 -3.214) 3.781 24.042 ( -3.595 -2.888 -1.274) 4.784 24.210 ( -0.770 1.987 1.512) 2.613 24.250 ( -0.586 -1.778 2.486) 3.112 24.360 ( 1.534 1.406 -0.183) 2.089 24.366 ( 2.748 0.906 -0.545) 2.944 24.406 ( 0.977 0.665 0.026) 1.182 24.423 ( 0.833 -0.721 -0.029) 1.102 24.582 ( -5.962 2.834 0.167) 6.603 24.638 ( -6.520 -2.453 -0.084) 6.967 25.141 ( 1.644 0.830 -0.150) 1.848 25.158 ( 1.703 -0.777 -0.673) 1.989 25.423 ( 5.689 1.336 0.000) 5.843 25.478 ( 3.818 -4.081 1.200) 5.716 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.000 9.291 0.000) 9.291 1.575 ( 0.000 7.765 -0.000) 7.765 1.868 ( 0.000 9.168 0.000) 9.168 1.924 ( 0.000 3.211 0.000) 3.211 2.013 ( 0.000 4.427 -0.000) 4.427 2.028 ( 0.000 0.294 0.000) 0.294 2.190 ( 0.000 -2.719 -0.000) 2.719 2.226 ( -0.000 2.446 0.000) 2.446 2.249 ( -0.000 -7.724 -0.000) 7.724 2.272 ( 0.000 0.046 0.000) 0.046 2.363 ( 0.000 -6.385 0.000) 6.385 2.371 ( 0.000 -5.278 -0.000) 5.278 2.500 ( -0.000 -2.821 0.000) 2.821 2.520 ( 0.000 -3.384 -0.000) 3.384 2.523 ( -0.000 -3.713 0.000) 3.713 2.550 ( 0.000 -7.934 -0.000) 7.934 2.989 ( 0.000 -1.001 -0.000) 1.001 2.999 ( 0.000 -1.714 0.000) 1.714 3.035 ( 0.000 6.508 0.000) 6.508 3.096 ( 0.000 8.058 -0.000) 8.058 3.130 ( 0.000 -1.331 -0.000) 1.331 3.170 ( 0.000 1.687 0.000) 1.687 3.293 ( 0.000 2.752 -0.000) 2.752 3.299 ( -0.000 1.631 -0.000) 1.631 3.327 ( 0.000 0.178 -0.000) 0.178 3.350 ( -0.000 -3.431 0.000) 3.431 3.571 ( -0.000 1.078 0.000) 1.078 3.572 ( 0.000 0.438 0.000) 0.438 3.728 ( 0.000 6.713 0.000) 6.713 3.740 ( -0.000 12.029 -0.000) 12.029 3.789 ( 0.000 18.122 0.000) 18.122 3.834 ( -0.000 11.146 0.000) 11.146 3.990 ( 0.000 -7.736 -0.000) 7.736 4.086 ( -0.000 -11.429 0.000) 11.429 4.226 ( 0.000 -16.715 0.000) 16.715 4.235 ( -0.000 -15.919 -0.000) 15.919 4.498 ( 0.000 6.323 0.000) 6.323 4.526 ( -0.000 3.211 -0.000) 3.211 4.595 ( 0.000 -1.726 0.000) 1.726 4.616 ( 0.000 -2.295 0.000) 2.295 4.811 ( -0.000 3.761 -0.000) 3.761 4.813 ( 0.000 2.469 0.000) 2.469 4.893 ( 0.000 -2.935 0.000) 2.935 4.904 ( -0.000 -3.426 -0.000) 3.426 4.983 ( 0.000 2.019 -0.000) 2.019 4.990 ( 0.000 -0.286 -0.000) 0.286 5.227 ( 0.000 -0.599 -0.000) 0.599 5.228 ( -0.000 -1.282 0.000) 1.282 5.334 ( 0.000 -0.294 -0.000) 0.294 5.474 ( 0.000 -10.055 -0.000) 10.055 5.567 ( 0.000 2.234 -0.000) 2.234 5.648 ( 0.000 0.059 -0.000) 0.059 5.837 ( 0.000 1.189 0.000) 1.189 5.904 ( 0.000 -2.965 -0.000) 2.965 6.134 ( 0.000 10.626 0.000) 10.626 6.249 ( 0.000 3.887 -0.000) 3.887 6.355 ( 0.000 2.553 -0.000) 2.553 6.399 ( 0.000 -2.954 0.000) 2.954 6.561 ( 0.000 2.444 -0.000) 2.444 6.583 ( -0.000 -3.378 0.000) 3.378 6.681 ( 0.000 6.897 -0.000) 6.897 6.788 ( -0.000 -2.539 0.000) 2.539 6.861 ( 0.000 1.074 -0.000) 1.074 6.972 ( 0.000 -5.796 0.000) 5.796 7.020 ( 0.000 -1.717 -0.000) 1.717 7.039 ( 0.000 -0.449 0.000) 0.449 7.241 ( 0.000 5.834 0.000) 5.834 7.354 ( 0.000 -1.907 0.000) 1.907 7.478 ( 0.000 4.967 -0.000) 4.967 7.603 ( 0.000 2.374 -0.000) 2.374 7.655 ( 0.000 -6.495 -0.000) 6.495 7.724 ( 0.000 -7.790 -0.000) 7.790 8.035 ( 0.000 8.715 0.000) 8.715 8.083 ( 0.000 4.814 0.000) 4.814 8.148 ( 0.000 1.720 -0.000) 1.720 8.237 ( 0.000 -9.009 -0.000) 9.009 8.278 ( -0.000 2.400 0.000) 2.400 8.430 ( 0.000 -3.866 0.000) 3.866 8.439 ( 0.000 -7.552 -0.000) 7.552 8.439 ( -0.000 -1.589 0.000) 1.589 8.548 ( 0.000 0.075 0.000) 0.075 8.560 ( -0.000 -1.258 -0.000) 1.258 8.992 ( 0.000 4.513 -0.000) 4.513 9.082 ( 0.000 -3.427 0.000) 3.427 9.286 ( 0.000 -0.092 0.000) 0.092 9.295 ( 0.000 -0.209 -0.000) 0.209 9.721 ( 0.000 1.742 -0.000) 1.742 9.733 ( 0.000 0.210 0.000) 0.210 9.937 ( 0.000 3.337 0.000) 3.337 9.952 ( 0.000 1.156 -0.000) 1.156 10.049 ( 0.000 0.489 -0.000) 0.489 10.091 ( 0.000 -2.783 -0.000) 2.783 13.431 ( 0.000 -0.307 0.000) 0.307 13.433 ( 0.000 -0.503 -0.000) 0.503 13.489 ( 0.000 0.408 0.000) 0.408 13.498 ( 0.000 -0.475 -0.000) 0.475 14.152 ( 0.000 5.676 -0.000) 5.676 14.262 ( 0.000 -4.317 0.000) 4.317 14.379 ( 0.000 -0.509 0.000) 0.509 14.394 ( 0.000 -2.345 -0.000) 2.345 14.410 ( 0.000 2.233 0.000) 2.233 14.477 ( 0.000 -3.927 0.000) 3.927 14.682 ( 0.000 0.855 0.000) 0.855 14.690 ( 0.000 0.481 -0.000) 0.481 14.975 ( 0.000 3.711 0.000) 3.711 15.066 ( 0.000 -4.999 -0.000) 4.999 15.247 ( 0.000 4.499 -0.000) 4.499 15.312 ( 0.000 -0.975 0.000) 0.975 15.420 ( -0.000 0.917 -0.000) 0.917 15.457 ( 0.000 -1.914 0.000) 1.914 15.656 ( 0.000 -1.072 -0.000) 1.072 15.680 ( 0.000 -3.252 0.000) 3.252 15.843 ( 0.000 8.880 -0.000) 8.880 15.967 ( 0.000 -2.761 0.000) 2.761 16.057 ( 0.000 5.381 0.000) 5.381 16.160 ( 0.000 -4.502 -0.000) 4.502 16.353 ( 0.000 8.322 -0.000) 8.322 16.482 ( 0.000 -2.423 0.000) 2.423 16.505 ( 0.000 4.559 -0.000) 4.559 16.523 ( 0.000 2.303 0.000) 2.303 17.209 ( 0.000 3.691 0.000) 3.691 17.331 ( 0.000 -6.296 -0.000) 6.296 17.505 ( -0.000 -5.671 -0.000) 5.671 17.508 ( 0.000 -5.031 0.000) 5.031 21.141 ( 0.000 6.295 0.000) 6.295 21.263 ( 0.000 -4.639 0.000) 4.639 21.274 ( 0.000 6.614 -0.000) 6.614 21.362 ( 0.000 -2.560 0.000) 2.560 21.490 ( 0.000 0.277 -0.000) 0.277 21.497 ( -0.000 -0.433 -0.000) 0.433 21.682 ( 0.000 1.895 -0.000) 1.895 21.714 ( 0.000 -1.166 0.000) 1.166 22.308 ( 0.000 2.191 0.000) 2.191 22.320 ( -0.000 1.550 -0.000) 1.550 22.416 ( 0.000 1.137 0.000) 1.137 22.459 ( 0.000 -3.240 0.000) 3.240 22.565 ( 0.000 9.650 0.000) 9.650 22.750 ( 0.000 -7.026 -0.000) 7.026 23.006 ( 0.000 -0.178 0.000) 0.178 23.045 ( 0.000 -3.186 -0.000) 3.186 23.740 ( 0.000 3.645 -0.000) 3.645 23.849 ( -0.000 -6.646 0.000) 6.646 23.981 ( 0.000 -0.784 0.000) 0.784 23.983 ( 0.000 -0.877 0.000) 0.877 24.202 ( 0.000 1.336 -0.000) 1.336 24.234 ( 0.000 -1.634 0.000) 1.634 24.382 ( 0.000 1.942 0.000) 1.942 24.406 ( 0.000 -0.173 0.000) 0.173 24.422 ( 0.000 1.075 0.000) 1.075 24.425 ( -0.000 0.852 0.000) 0.852 24.526 ( 0.000 0.665 -0.000) 0.665 24.556 ( 0.000 -2.275 0.000) 2.275 25.158 ( 0.000 0.845 -0.000) 0.845 25.175 ( 0.000 -0.771 -0.000) 0.771 25.494 ( 0.000 -0.787 -0.000) 0.787 25.499 ( 0.000 -1.273 0.000) 1.273 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -2.063 0.000 18.268) 18.385 0.570 ( -2.880 0.000 26.365) 26.521 0.875 ( 3.282 0.000 39.136) 39.274 1.597 ( 2.530 0.000 -15.373) 15.580 1.617 ( -0.351 0.000 5.636) 5.647 2.055 ( -2.585 0.000 18.692) 18.869 2.086 ( -0.943 0.000 -5.661) 5.739 2.242 ( 0.435 0.000 -3.427) 3.455 2.300 ( 3.583 0.000 1.242) 3.792 2.373 ( 2.026 0.000 1.494) 2.517 2.415 ( 0.339 0.000 -0.926) 0.986 2.590 ( 1.731 0.000 4.515) 4.835 2.658 ( 5.110 0.000 -7.388) 8.983 2.670 ( -5.715 0.000 -13.893) 15.022 2.814 ( 2.653 0.000 2.738) 3.812 2.860 ( 6.591 0.000 -4.270) 7.854 2.871 ( -5.038 0.000 4.523) 6.770 2.936 ( -4.594 0.000 -1.343) 4.786 2.962 ( -7.026 0.000 -1.670) 7.222 3.001 ( -0.500 0.000 -3.725) 3.759 3.046 ( 2.188 0.000 2.219) 3.116 3.103 ( -0.746 0.000 -9.856) 9.884 3.138 ( 2.842 0.000 -6.975) 7.532 3.243 ( -5.931 0.000 -6.245) 8.613 3.411 ( -4.243 0.000 7.149) 8.313 3.483 ( 0.412 0.000 -9.725) 9.734 3.506 ( 5.080 0.000 -4.172) 6.573 3.674 ( 0.408 0.000 0.373) 0.552 3.741 ( 1.415 0.000 7.828) 7.955 3.777 ( -2.828 0.000 13.662) 13.952 3.833 ( -0.528 0.000 0.728) 0.899 3.860 ( -1.168 0.000 12.307) 12.362 4.039 ( -0.288 0.000 -6.514) 6.520 4.140 ( 1.930 0.000 -10.426) 10.603 4.152 ( 2.804 0.000 16.575) 16.810 4.343 ( 12.219 0.000 -0.903) 12.252 4.384 ( -8.283 0.000 2.668) 8.702 4.416 ( -1.129 0.000 -0.337) 1.179 4.552 ( 1.282 0.000 -0.575) 1.405 4.738 ( -0.264 0.000 -2.636) 2.650 4.827 ( -3.351 0.000 0.543) 3.395 4.993 ( 0.325 0.000 5.254) 5.264 5.076 ( -2.040 0.000 -6.034) 6.370 5.137 ( -0.680 0.000 2.852) 2.932 5.157 ( 2.396 0.000 -0.799) 2.526 5.274 ( -0.258 0.000 5.083) 5.089 5.318 ( 1.359 0.000 -2.724) 3.045 5.378 ( 4.669 0.000 -2.870) 5.480 5.381 ( 1.512 0.000 8.360) 8.496 5.495 ( 6.053 0.000 -0.981) 6.132 5.572 ( 2.599 0.000 -2.263) 3.446 5.647 ( -5.576 0.000 1.409) 5.751 5.805 ( -1.627 0.000 2.105) 2.661 5.898 ( -4.405 0.000 -4.972) 6.643 5.955 ( 0.012 0.000 0.893) 0.894 6.069 ( -11.643 0.000 3.098) 12.048 6.116 ( 1.173 0.000 -6.089) 6.201 6.300 ( 1.566 0.000 -7.197) 7.366 6.480 ( -0.490 0.000 1.916) 1.977 6.504 ( 7.025 0.000 2.154) 7.347 6.588 ( -2.784 0.000 -6.549) 7.117 6.832 ( -2.564 0.000 -2.103) 3.316 6.910 ( 0.868 0.000 -0.779) 1.166 6.981 ( -2.852 0.000 -2.583) 3.848 7.217 ( 2.557 0.000 1.521) 2.976 7.249 ( 6.917 0.000 -4.763) 8.398 7.288 ( 1.064 0.000 3.185) 3.358 7.376 ( -5.503 0.000 -2.239) 5.941 7.390 ( -5.539 0.000 5.780) 8.005 7.482 ( 10.350 0.000 0.068) 10.351 7.697 ( 3.794 0.000 -1.035) 3.933 7.711 ( 6.892 0.000 -6.991) 9.817 7.822 ( -0.437 0.000 -0.355) 0.563 7.958 ( 3.018 0.000 -1.126) 3.221 8.128 ( -4.995 0.000 4.484) 6.712 8.164 ( -5.936 0.000 -0.227) 5.940 8.251 ( 8.456 0.000 -4.135) 9.413 8.307 ( -1.724 0.000 -3.628) 4.016 8.540 ( -0.117 0.000 2.579) 2.582 8.565 ( 1.145 0.000 0.802) 1.397 8.739 ( -9.108 0.000 8.634) 12.550 8.909 ( 5.131 0.000 -1.555) 5.361 8.952 ( 0.588 0.000 -5.798) 5.828 8.980 ( -8.257 0.000 -0.235) 8.260 9.178 ( -2.813 0.000 2.893) 4.035 9.311 ( -4.267 0.000 4.502) 6.203 9.507 ( -0.631 0.000 -0.806) 1.024 9.518 ( 6.806 0.000 -6.851) 9.657 9.841 ( -0.414 0.000 6.424) 6.437 9.986 ( -0.393 0.000 0.529) 0.659 10.217 ( -0.061 0.000 1.097) 1.099 10.272 ( -0.118 0.000 -0.295) 0.317 13.460 ( 0.386 0.000 -0.367) 0.532 13.492 ( -0.087 0.000 -0.932) 0.936 13.647 ( -1.280 0.000 0.455) 1.359 13.662 ( 0.897 0.000 -0.147) 0.909 14.206 ( -0.141 0.000 -0.551) 0.568 14.260 ( -3.155 0.000 -0.967) 3.300 14.395 ( -0.863 0.000 4.287) 4.373 14.505 ( 0.179 0.000 1.761) 1.770 14.508 ( -1.328 0.000 -0.180) 1.340 14.759 ( 1.269 0.000 -0.225) 1.288 14.813 ( 3.353 0.000 -0.540) 3.396 14.841 ( 2.893 0.000 -3.182) 4.300 14.900 ( -5.690 0.000 0.923) 5.764 14.958 ( -4.130 0.000 -4.055) 5.788 15.086 ( -1.021 0.000 0.573) 1.171 15.261 ( 3.510 0.000 -3.393) 4.882 15.324 ( 5.481 0.000 1.145) 5.600 15.369 ( -7.649 0.000 9.648) 12.313 15.479 ( 2.888 0.000 2.758) 3.993 15.625 ( -2.881 0.000 2.760) 3.989 15.785 ( -20.025 0.000 -1.306) 20.068 15.870 ( 1.940 0.000 3.236) 3.772 15.933 ( -0.309 0.000 2.147) 2.169 16.173 ( 5.018 0.000 -8.948) 10.259 16.345 ( 28.525 0.000 -0.550) 28.531 16.384 ( 4.393 0.000 0.343) 4.406 16.402 ( -5.322 0.000 -3.584) 6.416 16.592 ( -4.418 0.000 0.393) 4.435 16.623 ( 4.171 0.000 1.003) 4.290 16.636 ( -0.492 0.000 1.642) 1.714 17.848 ( 1.267 0.000 2.353) 2.672 18.152 ( -0.771 0.000 -3.929) 4.004 20.945 ( 0.152 0.000 -0.058) 0.163 20.976 ( -0.090 0.000 -0.611) 0.617 21.192 ( -0.110 0.000 3.314) 3.316 21.441 ( 2.053 0.000 -1.452) 2.514 21.457 ( 0.059 0.000 0.632) 0.635 21.509 ( -0.175 0.000 0.174) 0.247 21.841 ( 0.301 0.000 3.480) 3.493 22.130 ( -4.654 0.000 -1.529) 4.898 22.151 ( -0.527 0.000 1.086) 1.207 22.250 ( -4.398 0.000 -4.017) 5.956 22.405 ( 4.561 0.000 4.140) 6.160 22.459 ( 0.109 0.000 -1.207) 1.212 22.658 ( -1.708 0.000 -4.986) 5.270 22.914 ( -0.157 0.000 -4.915) 4.918 23.029 ( -5.793 0.000 5.470) 7.968 23.286 ( -1.459 0.000 -1.257) 1.926 23.449 ( -4.652 0.000 1.723) 4.961 23.723 ( 4.987 0.000 -6.598) 8.270 24.015 ( -4.229 0.000 4.592) 6.243 24.185 ( 1.320 0.000 2.979) 3.258 24.188 ( 1.272 0.000 -0.699) 1.452 24.242 ( -1.864 0.000 1.802) 2.593 24.339 ( -0.798 0.000 -0.118) 0.807 24.349 ( -0.087 0.000 1.451) 1.454 24.404 ( -0.882 0.000 -0.714) 1.135 24.544 ( 1.099 0.000 -1.872) 2.171 24.835 ( 0.071 0.000 0.880) 0.882 24.910 ( -11.177 0.000 -0.827) 11.207 25.071 ( 0.956 0.000 -0.537) 1.097 25.104 ( 19.380 0.000 -0.402) 19.384 25.104 ( -2.046 0.000 0.769) 2.186 25.198 ( -0.689 0.000 -2.161) 2.268 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 19.322 0.000 9.659) 21.601 0.715 ( 15.239 0.000 16.960) 22.801 1.350 ( 33.411 0.000 25.470) 42.012 1.682 ( 4.354 0.000 5.598) 7.092 1.725 ( 9.135 0.000 -10.645) 14.027 2.057 ( -1.182 0.000 -7.802) 7.891 2.096 ( 4.852 0.000 11.062) 12.079 2.248 ( -8.195 0.000 3.878) 9.066 2.276 ( 4.350 0.000 -4.360) 6.158 2.408 ( 1.418 0.000 2.733) 3.079 2.430 ( 0.043 0.000 -2.202) 2.202 2.582 ( -0.039 0.000 2.222) 2.222 2.610 ( -1.848 0.000 -10.014) 10.183 2.625 ( -14.852 0.000 1.646) 14.943 2.714 ( -10.948 0.000 -1.208) 11.014 2.753 ( -1.921 0.000 -5.668) 5.985 2.851 ( 3.150 0.000 0.613) 3.209 2.878 ( -1.187 0.000 0.701) 1.379 2.947 ( 0.730 0.000 -2.826) 2.919 2.957 ( -8.366 0.000 1.796) 8.557 3.040 ( 1.341 0.000 -6.207) 6.350 3.138 ( 2.522 0.000 -5.964) 6.475 3.167 ( 3.271 0.000 -3.168) 4.554 3.226 ( 1.902 0.000 -11.075) 11.237 3.243 ( -5.700 0.000 3.567) 6.724 3.539 ( -5.962 0.000 2.916) 6.637 3.553 ( 1.275 0.000 -7.077) 7.191 3.682 ( 3.551 0.000 3.681) 5.115 3.719 ( -2.539 0.000 10.414) 10.719 3.785 ( 4.177 0.000 5.046) 6.550 3.852 ( 0.277 0.000 0.929) 0.969 3.872 ( 2.120 0.000 7.467) 7.762 4.036 ( -0.397 0.000 -3.447) 3.470 4.195 ( 3.502 0.000 -11.536) 12.056 4.206 ( -7.686 0.000 5.410) 9.398 4.287 ( 8.855 0.000 13.333) 16.005 4.406 ( 0.803 0.000 -2.892) 3.002 4.484 ( -3.527 0.000 0.209) 3.533 4.609 ( 3.802 0.000 -1.213) 3.991 4.685 ( -3.824 0.000 1.656) 4.167 4.804 ( 1.353 0.000 -1.865) 2.304 4.956 ( -0.260 0.000 3.449) 3.459 5.042 ( -2.273 0.000 0.940) 2.459 5.054 ( -5.205 0.000 0.953) 5.292 5.182 ( -0.777 0.000 1.055) 1.310 5.272 ( -13.513 0.000 3.546) 13.970 5.344 ( 5.414 0.000 -2.303) 5.884 5.372 ( -2.448 0.000 6.832) 7.257 5.417 ( 9.021 0.000 -0.846) 9.060 5.419 ( -3.826 0.000 -1.617) 4.153 5.637 ( 3.531 0.000 4.438) 5.671 5.685 ( -8.038 0.000 -1.735) 8.223 5.786 ( 3.944 0.000 7.765) 8.710 5.805 ( 0.868 0.000 1.502) 1.735 5.966 ( 2.054 0.000 2.370) 3.136 5.985 ( 0.471 0.000 -7.252) 7.268 6.165 ( 1.756 0.000 -2.309) 2.901 6.334 ( 1.603 0.000 -6.174) 6.379 6.441 ( 0.702 0.000 9.191) 9.218 6.451 ( -3.291 0.000 3.701) 4.953 6.547 ( -0.562 0.000 -8.711) 8.729 6.812 ( -0.606 0.000 -6.973) 7.000 6.894 ( -1.566 0.000 -2.699) 3.121 6.950 ( -2.514 0.000 -5.979) 6.487 7.179 ( -7.503 0.000 -1.736) 7.701 7.213 ( -3.325 0.000 4.924) 5.941 7.261 ( -3.844 0.000 3.203) 5.004 7.305 ( -3.039 0.000 2.860) 4.173 7.415 ( 3.931 0.000 -9.007) 9.828 7.664 ( 6.762 0.000 -7.788) 10.313 7.806 ( -1.191 0.000 -0.305) 1.229 7.847 ( 6.893 0.000 -5.426) 8.773 7.904 ( 9.781 0.000 -2.564) 10.111 7.907 ( -9.429 0.000 4.031) 10.254 8.038 ( -4.485 0.000 5.530) 7.121 8.081 ( 3.552 0.000 -2.873) 4.568 8.352 ( 3.564 0.000 -4.381) 5.647 8.387 ( 4.686 0.000 -1.891) 5.054 8.551 ( -3.332 0.000 0.644) 3.394 8.623 ( 5.550 0.000 0.210) 5.554 8.671 ( 3.473 0.000 5.673) 6.652 8.833 ( -5.904 0.000 6.410) 8.715 8.927 ( -3.820 0.000 -9.221) 9.981 8.980 ( 0.070 0.000 -4.346) 4.347 9.199 ( -3.062 0.000 6.295) 7.001 9.308 ( 11.885 0.000 -2.688) 12.185 9.535 ( 3.425 0.000 0.031) 3.425 9.686 ( 5.949 0.000 -0.363) 5.960 9.848 ( 2.222 0.000 4.377) 4.909 9.954 ( -2.648 0.000 0.350) 2.671 10.145 ( -5.934 0.000 4.292) 7.323 10.242 ( -2.635 0.000 -0.642) 2.712 13.440 ( -1.483 0.000 1.707) 2.261 13.478 ( -1.231 0.000 -0.873) 1.509 13.590 ( -3.851 0.000 -0.533) 3.887 13.638 ( -3.075 0.000 0.465) 3.110 14.136 ( -5.857 0.000 7.516) 9.528 14.237 ( 2.979 0.000 -1.158) 3.196 14.382 ( -0.470 0.000 4.400) 4.426 14.499 ( 0.366 0.000 -1.178) 1.233 14.511 ( 0.560 0.000 1.296) 1.411 14.664 ( -4.415 0.000 3.235) 5.474 14.730 ( -7.616 0.000 0.909) 7.670 14.811 ( -6.623 0.000 3.172) 7.343 14.906 ( 1.870 0.000 -0.050) 1.871 14.928 ( 4.503 0.000 -2.549) 5.175 15.124 ( 4.168 0.000 0.048) 4.169 15.251 ( 2.098 0.000 3.531) 4.108 15.314 ( 0.760 0.000 -1.008) 1.262 15.404 ( 2.021 0.000 5.402) 5.768 15.440 ( 2.342 0.000 1.046) 2.565 15.644 ( 5.396 0.000 -0.242) 5.402 15.782 ( 2.731 0.000 1.211) 2.988 15.906 ( 3.404 0.000 2.523) 4.237 15.915 ( -1.641 0.000 2.118) 2.679 16.172 ( -4.238 0.000 -9.915) 10.782 16.282 ( -6.100 0.000 2.356) 6.539 16.326 ( -3.792 0.000 -2.569) 4.581 16.589 ( -3.892 0.000 1.277) 4.096 16.593 ( 1.323 0.000 -4.435) 4.628 16.741 ( 9.583 0.000 1.207) 9.659 17.155 ( 30.227 0.000 -21.670) 37.192 17.813 ( -4.936 0.000 3.132) 5.846 18.033 ( -9.775 0.000 -2.810) 10.171 20.954 ( 0.663 0.000 -0.007) 0.663 20.977 ( 0.243 0.000 -0.656) 0.699 21.218 ( 2.731 0.000 3.264) 4.256 21.459 ( 0.224 0.000 0.570) 0.612 21.478 ( 0.183 0.000 -0.912) 0.930 21.521 ( 2.226 0.000 0.572) 2.298 21.789 ( -5.300 0.000 3.459) 6.328 21.876 ( -12.067 0.000 4.897) 13.023 22.169 ( 2.086 0.000 1.049) 2.335 22.243 ( 0.793 0.000 -0.672) 1.039 22.440 ( -1.916 0.000 -1.097) 2.208 22.450 ( -0.598 0.000 6.684) 6.711 22.588 ( -3.996 0.000 -1.832) 4.396 22.822 ( -1.952 0.000 5.785) 6.105 22.928 ( 1.699 0.000 -5.087) 5.363 23.233 ( -3.524 0.000 -2.713) 4.448 23.629 ( 10.332 0.000 -5.717) 11.808 23.777 ( -0.046 0.000 -2.685) 2.686 23.979 ( 0.531 0.000 3.148) 3.193 24.184 ( -4.057 0.000 0.756) 4.127 24.216 ( 2.057 0.000 2.028) 2.888 24.229 ( 2.339 0.000 -0.988) 2.539 24.298 ( -3.003 0.000 2.891) 4.169 24.353 ( 1.855 0.000 -0.852) 2.041 24.405 ( 0.156 0.000 -0.301) 0.339 24.538 ( -1.330 0.000 -0.737) 1.520 24.621 ( -9.404 0.000 9.188) 13.147 24.784 ( -4.687 0.000 -0.104) 4.689 25.096 ( 1.639 0.000 0.050) 1.639 25.121 ( 3.009 0.000 0.767) 3.105 25.237 ( 4.484 0.000 -3.246) 5.535 25.529 ( 11.157 0.000 -12.555) 16.796 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 22.960 0.000 3.942) 23.295 1.077 ( 20.196 0.000 5.445) 20.917 1.575 ( -10.673 0.000 5.562) 12.035 1.838 ( -1.441 0.000 -9.980) 10.083 1.960 ( 15.597 0.000 11.219) 19.213 2.018 ( -6.734 0.000 0.816) 6.783 2.096 ( -1.472 0.000 4.440) 4.678 2.299 ( -8.611 0.000 -8.045) 11.785 2.310 ( 19.329 0.000 -1.621) 19.397 2.355 ( -6.194 0.000 -2.868) 6.826 2.453 ( 7.131 0.000 -0.998) 7.200 2.481 ( -1.661 0.000 -3.605) 3.969 2.530 ( 5.285 0.000 1.456) 5.482 2.606 ( -8.345 0.000 -1.104) 8.418 2.618 ( 3.926 0.000 0.385) 3.944 2.692 ( 3.700 0.000 -13.198) 13.707 2.721 ( -9.187 0.000 2.972) 9.656 2.871 ( -10.824 0.000 -2.399) 11.087 2.910 ( 2.155 0.000 6.355) 6.710 3.009 ( 5.440 0.000 -2.064) 5.818 3.011 ( 6.202 0.000 -5.008) 7.972 3.196 ( 0.785 0.000 -0.571) 0.971 3.213 ( -0.405 0.000 -6.785) 6.797 3.246 ( 0.824 0.000 1.020) 1.311 3.334 ( 10.134 0.000 -3.778) 10.816 3.422 ( -3.528 0.000 9.093) 9.753 3.509 ( -2.246 0.000 -2.199) 3.144 3.642 ( -8.536 0.000 7.011) 11.046 3.720 ( -6.170 0.000 7.366) 9.609 3.746 ( -1.651 0.000 3.058) 3.475 3.877 ( 1.243 0.000 5.567) 5.704 3.928 ( 3.354 0.000 3.464) 4.821 4.042 ( 2.042 0.000 -6.470) 6.785 4.094 ( -23.860 0.000 3.591) 24.128 4.226 ( 4.340 0.000 7.638) 8.785 4.274 ( 4.729 0.000 -9.479) 10.593 4.431 ( 0.761 0.000 -7.132) 7.172 4.481 ( 8.159 0.000 7.493) 11.078 4.668 ( -0.409 0.000 4.978) 4.995 4.679 ( 3.269 0.000 -0.777) 3.360 4.847 ( 1.011 0.000 -2.341) 2.550 4.950 ( -4.361 0.000 5.923) 7.356 4.997 ( -3.035 0.000 -2.538) 3.957 5.021 ( 0.729 0.000 -0.522) 0.897 5.035 ( -5.455 0.000 7.234) 9.060 5.128 ( -3.876 0.000 2.601) 4.668 5.313 ( -2.804 0.000 1.011) 2.981 5.348 ( -2.418 0.000 -0.746) 2.530 5.456 ( 5.414 0.000 -3.035) 6.206 5.528 ( -6.184 0.000 0.206) 6.187 5.623 ( 9.858 0.000 1.061) 9.915 5.675 ( 0.465 0.000 7.129) 7.144 5.803 ( -0.269 0.000 -5.020) 5.028 5.830 ( -1.469 0.000 5.741) 5.926 6.003 ( 1.751 0.000 -3.634) 4.034 6.054 ( 5.571 0.000 4.719) 7.301 6.176 ( 0.593 0.000 0.550) 0.809 6.314 ( -3.315 0.000 -3.494) 4.816 6.405 ( -0.947 0.000 3.747) 3.865 6.553 ( 1.432 0.000 -8.583) 8.701 6.604 ( 11.725 0.000 -1.098) 11.777 6.773 ( -2.142 0.000 -5.346) 5.759 6.857 ( -3.250 0.000 2.026) 3.830 6.920 ( -0.589 0.000 -4.899) 4.934 7.070 ( -3.444 0.000 -6.319) 7.197 7.107 ( -6.354 0.000 1.700) 6.578 7.183 ( -2.589 0.000 3.311) 4.204 7.264 ( -1.321 0.000 0.265) 1.347 7.450 ( -0.371 0.000 -8.267) 8.275 7.677 ( -7.028 0.000 -0.180) 7.030 7.780 ( -1.188 0.000 0.043) 1.189 7.824 ( 4.878 0.000 -2.129) 5.323 7.939 ( -3.064 0.000 3.291) 4.496 7.967 ( 2.145 0.000 -2.158) 3.043 8.016 ( 1.351 0.000 -7.238) 7.363 8.208 ( 7.960 0.000 -6.252) 10.122 8.412 ( 2.680 0.000 0.041) 2.680 8.426 ( -0.212 0.000 1.926) 1.938 8.505 ( -1.257 0.000 1.609) 2.042 8.686 ( -3.585 0.000 -1.451) 3.867 8.716 ( -1.602 0.000 7.812) 7.974 8.762 ( 2.155 0.000 0.075) 2.156 8.865 ( 1.693 0.000 -5.822) 6.063 8.975 ( 0.158 0.000 -0.807) 0.823 9.213 ( 3.090 0.000 5.859) 6.624 9.484 ( 5.461 0.000 -3.227) 6.343 9.642 ( 7.455 0.000 2.165) 7.763 9.673 ( -5.380 0.000 7.578) 9.294 9.894 ( -3.309 0.000 0.876) 3.423 9.958 ( 6.796 0.000 -1.446) 6.948 10.020 ( -6.520 0.000 4.523) 7.935 10.182 ( -3.232 0.000 -1.242) 3.462 13.434 ( 1.058 0.000 1.592) 1.912 13.455 ( -0.748 0.000 -0.690) 1.017 13.514 ( -3.801 0.000 -1.106) 3.958 13.565 ( -3.836 0.000 0.466) 3.864 14.081 ( -0.744 0.000 6.405) 6.448 14.298 ( 2.659 0.000 -1.276) 2.949 14.384 ( 0.793 0.000 4.164) 4.239 14.507 ( 0.133 0.000 -1.753) 1.758 14.526 ( 0.604 0.000 1.291) 1.426 14.593 ( -5.600 0.000 -0.057) 5.600 14.625 ( -0.705 0.000 2.276) 2.383 14.710 ( -3.820 0.000 0.888) 3.921 14.913 ( -0.707 0.000 0.548) 0.895 15.004 ( 3.199 0.000 -3.486) 4.731 15.214 ( 4.067 0.000 0.184) 4.071 15.305 ( -0.028 0.000 0.875) 0.875 15.359 ( 6.100 0.000 -0.761) 6.147 15.443 ( 3.089 0.000 4.737) 5.655 15.510 ( 2.408 0.000 0.933) 2.582 15.783 ( 6.748 0.000 -1.023) 6.825 15.845 ( 4.729 0.000 4.745) 6.699 15.855 ( -5.002 0.000 2.382) 5.540 15.991 ( 4.467 0.000 -0.110) 4.469 16.077 ( -4.126 0.000 -5.385) 6.783 16.187 ( -2.717 0.000 -0.824) 2.839 16.235 ( -5.081 0.000 -4.629) 6.873 16.488 ( -5.823 0.000 2.840) 6.479 16.584 ( -1.817 0.000 -0.301) 1.842 16.986 ( 14.132 0.000 -1.390) 14.200 17.549 ( 14.100 0.000 -11.651) 18.291 17.665 ( -9.909 0.000 3.045) 10.366 17.822 ( -11.565 0.000 -4.711) 12.488 20.967 ( 0.514 0.000 -0.038) 0.515 20.984 ( 0.383 0.000 -0.660) 0.763 21.290 ( 4.014 0.000 3.371) 5.242 21.452 ( -1.857 0.000 1.351) 2.296 21.471 ( 1.296 0.000 0.570) 1.416 21.582 ( 3.044 0.000 0.764) 3.138 21.661 ( -7.274 0.000 2.879) 7.823 21.743 ( -2.797 0.000 -0.045) 2.797 22.216 ( 2.420 0.000 1.152) 2.680 22.258 ( 0.718 0.000 0.149) 0.733 22.393 ( -2.475 0.000 -1.002) 2.670 22.424 ( -1.181 0.000 8.688) 8.768 22.544 ( -1.188 0.000 -3.175) 3.390 22.836 ( 1.118 0.000 0.574) 1.257 22.976 ( 3.268 0.000 -4.999) 5.972 23.157 ( -4.093 0.000 -3.665) 5.494 23.748 ( -2.153 0.000 1.622) 2.696 23.794 ( 7.426 0.000 -5.842) 9.449 24.006 ( 1.718 0.000 0.590) 1.817 24.093 ( -4.684 0.000 -0.197) 4.688 24.257 ( -0.800 0.000 1.687) 1.867 24.268 ( 3.118 0.000 -0.101) 3.119 24.278 ( 1.968 0.000 -0.115) 1.971 24.380 ( -0.068 0.000 -1.768) 1.769 24.403 ( -0.305 0.000 1.286) 1.322 24.495 ( -4.742 0.000 7.656) 9.005 24.519 ( 0.197 0.000 0.739) 0.765 24.684 ( -4.970 0.000 -0.993) 5.069 25.129 ( 1.314 0.000 0.577) 1.435 25.185 ( 3.139 0.000 1.985) 3.713 25.344 ( 5.950 0.000 -4.776) 7.630 25.603 ( -1.046 0.000 -6.736) 6.817 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -17.287 0.000 -0.253) 17.289 1.443 ( 16.573 0.000 9.485) 19.095 1.448 ( 15.706 0.000 -6.083) 16.843 1.597 ( -17.685 0.000 3.864) 18.102 1.990 ( -3.750 0.000 -1.581) 4.070 2.001 ( 1.299 0.000 -0.789) 1.520 2.115 ( 2.065 0.000 -2.577) 3.302 2.200 ( -4.343 0.000 -1.231) 4.514 2.348 ( 4.933 0.000 -5.155) 7.135 2.365 ( -2.998 0.000 -3.986) 4.987 2.478 ( 0.151 0.000 -3.501) 3.504 2.553 ( -4.272 0.000 -0.029) 4.272 2.564 ( 3.714 0.000 -10.421) 11.063 2.577 ( -6.364 0.000 0.017) 6.364 2.630 ( 5.443 0.000 -0.967) 5.529 2.728 ( 1.402 0.000 -4.777) 4.979 2.823 ( 6.865 0.000 -4.021) 7.956 2.871 ( -4.025 0.000 1.527) 4.306 2.962 ( 1.962 0.000 5.269) 5.622 3.057 ( -1.439 0.000 -0.718) 1.608 3.064 ( 9.496 0.000 -2.494) 9.818 3.176 ( -13.804 0.000 -1.276) 13.862 3.207 ( 0.252 0.000 -4.100) 4.108 3.263 ( 5.719 0.000 4.546) 7.306 3.420 ( -0.028 0.000 13.066) 13.066 3.434 ( 0.918 0.000 -1.169) 1.486 3.488 ( 9.636 0.000 4.795) 10.763 3.591 ( 3.990 0.000 -0.225) 3.996 3.630 ( -10.183 0.000 7.448) 12.616 3.638 ( -2.882 0.000 0.561) 2.936 3.694 ( -4.842 0.000 13.714) 14.543 3.897 ( 1.011 0.000 7.795) 7.860 3.954 ( -1.733 0.000 -2.684) 3.195 4.096 ( 2.472 0.000 -7.436) 7.836 4.338 ( -0.037 0.000 1.830) 1.830 4.342 ( 0.543 0.000 -8.411) 8.428 4.415 ( -1.145 0.000 -7.141) 7.232 4.526 ( 0.054 0.000 1.933) 1.934 4.677 ( -6.056 0.000 7.731) 9.821 4.746 ( 2.720 0.000 4.142) 4.955 4.785 ( -3.857 0.000 0.148) 3.859 4.862 ( 4.657 0.000 4.246) 6.302 4.938 ( 1.975 0.000 5.531) 5.873 5.021 ( -2.017 0.000 3.664) 4.183 5.078 ( 1.217 0.000 3.150) 3.377 5.125 ( 4.698 0.000 -5.628) 7.331 5.270 ( -1.876 0.000 0.277) 1.897 5.335 ( 0.586 0.000 -2.626) 2.691 5.459 ( -0.814 0.000 -1.735) 1.916 5.530 ( 1.359 0.000 -0.995) 1.684 5.647 ( -5.375 0.000 -2.615) 5.977 5.681 ( 0.971 0.000 9.625) 9.673 5.741 ( -6.275 0.000 2.941) 6.930 5.904 ( 7.649 0.000 -5.594) 9.476 6.072 ( 4.735 0.000 3.597) 5.947 6.074 ( -3.736 0.000 0.989) 3.865 6.197 ( 1.232 0.000 -1.446) 1.900 6.306 ( -1.510 0.000 0.885) 1.750 6.381 ( 2.899 0.000 1.158) 3.122 6.621 ( 4.964 0.000 -6.423) 8.118 6.713 ( 0.122 0.000 -7.175) 7.176 6.750 ( -6.016 0.000 9.549) 11.286 6.765 ( -1.988 0.000 -2.866) 3.488 6.906 ( -1.546 0.000 -2.359) 2.821 7.018 ( -2.438 0.000 -0.188) 2.445 7.097 ( 8.169 0.000 -10.511) 13.312 7.157 ( -1.129 0.000 2.901) 3.112 7.294 ( 5.499 0.000 -5.321) 7.652 7.382 ( -5.870 0.000 -2.234) 6.281 7.581 ( -2.369 0.000 -2.424) 3.389 7.759 ( -1.856 0.000 0.075) 1.857 7.845 ( -4.289 0.000 7.958) 9.041 7.933 ( 4.942 0.000 -5.768) 7.596 7.997 ( -2.296 0.000 -6.930) 7.301 8.003 ( 0.372 0.000 -7.465) 7.474 8.325 ( 3.104 0.000 -6.283) 7.007 8.394 ( -2.667 0.000 2.241) 3.484 8.446 ( -0.377 0.000 2.113) 2.146 8.496 ( 0.323 0.000 2.984) 3.002 8.546 ( -5.578 0.000 -0.080) 5.579 8.739 ( 0.894 0.000 4.374) 4.465 8.796 ( 3.554 0.000 -0.876) 3.661 8.949 ( 3.988 0.000 -1.253) 4.180 8.996 ( 2.007 0.000 0.860) 2.183 9.278 ( 1.800 0.000 3.473) 3.912 9.534 ( 0.025 0.000 -1.961) 1.961 9.549 ( -5.530 0.000 8.757) 10.357 9.777 ( 1.189 0.000 3.187) 3.402 9.841 ( 1.859 0.000 3.451) 3.920 9.926 ( -2.082 0.000 1.967) 2.864 10.048 ( 0.496 0.000 -1.399) 1.484 10.135 ( -0.002 0.000 -1.600) 1.600 13.447 ( -2.391 0.000 -0.379) 2.421 13.457 ( 0.817 0.000 -0.388) 0.904 13.482 ( 3.174 0.000 0.742) 3.260 13.509 ( -1.402 0.000 -0.162) 1.411 14.089 ( 1.295 0.000 5.956) 6.096 14.320 ( -0.473 0.000 -0.768) 0.902 14.406 ( 0.662 0.000 3.739) 3.797 14.498 ( -0.984 0.000 -1.664) 1.933 14.506 ( -0.935 0.000 0.117) 0.942 14.563 ( 1.359 0.000 0.981) 1.676 14.612 ( -0.985 0.000 0.945) 1.365 14.669 ( -0.320 0.000 -0.507) 0.600 14.900 ( -0.229 0.000 0.697) 0.734 15.054 ( 2.194 0.000 -3.448) 4.087 15.240 ( -1.738 0.000 1.858) 2.544 15.282 ( -2.068 0.000 -1.107) 2.345 15.487 ( 5.238 0.000 1.947) 5.588 15.510 ( -0.544 0.000 1.918) 1.994 15.537 ( 4.773 0.000 0.534) 4.802 15.698 ( -8.231 0.000 1.707) 8.406 15.870 ( 0.795 0.000 -0.903) 1.203 15.893 ( -3.634 0.000 4.287) 5.620 16.025 ( -1.494 0.000 -0.845) 1.716 16.052 ( 1.100 0.000 -0.482) 1.201 16.197 ( 3.944 0.000 -5.924) 7.117 16.219 ( 6.031 0.000 -3.825) 7.142 16.399 ( -2.417 0.000 4.022) 4.692 16.540 ( -2.330 0.000 1.763) 2.922 17.226 ( 6.269 0.000 1.145) 6.373 17.471 ( -5.985 0.000 0.487) 6.005 17.579 ( -13.544 0.000 -10.021) 16.848 17.773 ( 9.926 0.000 -4.428) 10.869 20.970 ( -0.171 0.000 -0.130) 0.215 20.989 ( 0.101 0.000 -0.584) 0.593 21.340 ( 0.145 0.000 3.318) 3.322 21.423 ( -1.037 0.000 1.296) 1.660 21.522 ( -0.534 0.000 3.202) 3.247 21.539 ( 0.246 0.000 0.049) 0.251 21.602 ( -1.187 0.000 -0.940) 1.514 21.758 ( 4.171 0.000 0.599) 4.213 22.248 ( 0.297 0.000 1.203) 1.239 22.271 ( 0.587 0.000 1.003) 1.162 22.363 ( 0.006 0.000 -0.925) 0.925 22.421 ( 0.528 0.000 8.068) 8.085 22.531 ( 0.109 0.000 -2.986) 2.988 22.836 ( -1.193 0.000 -0.342) 1.241 23.039 ( 1.051 0.000 -4.761) 4.876 23.091 ( -0.349 0.000 -3.952) 3.967 23.703 ( -2.556 0.000 1.573) 3.001 23.912 ( 3.182 0.000 -6.917) 7.614 24.027 ( -0.376 0.000 0.519) 0.641 24.042 ( 1.995 0.000 0.883) 2.181 24.247 ( -0.379 0.000 1.660) 1.703 24.315 ( 1.593 0.000 -0.116) 1.597 24.328 ( 1.826 0.000 -1.201) 2.186 24.344 ( -1.804 0.000 -2.141) 2.800 24.397 ( -0.222 0.000 3.853) 3.859 24.426 ( -2.339 0.000 5.465) 5.945 24.526 ( -1.480 0.000 0.712) 1.642 24.629 ( 0.878 0.000 -0.620) 1.075 25.139 ( -0.433 0.000 0.656) 0.786 25.230 ( 1.141 0.000 3.049) 3.255 25.447 ( 4.289 0.000 -7.032) 8.237 25.533 ( -5.382 0.000 -3.648) 6.502 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -22.810 0.000 2.158) 22.912 1.184 ( -21.404 0.000 11.084) 24.104 1.690 ( 3.862 0.000 -16.785) 17.223 1.725 ( 7.172 0.000 11.513) 13.564 1.939 ( 4.759 0.000 -1.224) 4.914 1.961 ( -16.907 0.000 13.483) 21.625 2.097 ( 0.873 0.000 1.929) 2.117 2.212 ( -7.170 0.000 -8.637) 11.225 2.307 ( 5.511 0.000 -0.686) 5.554 2.366 ( -6.582 0.000 -9.247) 11.350 2.472 ( -3.543 0.000 0.676) 3.607 2.496 ( 2.658 0.000 -2.071) 3.370 2.554 ( -4.806 0.000 2.023) 5.214 2.584 ( 9.644 0.000 -3.883) 10.396 2.651 ( -2.656 0.000 4.390) 5.131 2.673 ( -4.541 0.000 -7.350) 8.639 2.754 ( 3.842 0.000 -8.556) 9.379 2.902 ( 3.298 0.000 -2.005) 3.860 2.975 ( 1.608 0.000 4.094) 4.398 3.013 ( -2.538 0.000 4.001) 4.738 3.034 ( 4.283 0.000 -6.036) 7.401 3.142 ( -4.406 0.000 -4.717) 6.455 3.185 ( -3.178 0.000 0.869) 3.295 3.328 ( -3.946 0.000 1.756) 4.319 3.440 ( -2.158 0.000 -4.554) 5.039 3.477 ( 2.805 0.000 6.549) 7.124 3.513 ( 0.119 0.000 -2.565) 2.568 3.582 ( 6.438 0.000 13.393) 14.860 3.662 ( 11.615 0.000 6.473) 13.297 3.735 ( 2.182 0.000 4.964) 5.422 3.882 ( 1.415 0.000 6.771) 6.918 3.885 ( -3.754 0.000 0.108) 3.756 4.001 ( 17.218 0.000 3.220) 17.516 4.096 ( -2.156 0.000 -9.789) 10.024 4.213 ( -4.670 0.000 3.362) 5.754 4.269 ( -5.717 0.000 -11.043) 12.435 4.421 ( 0.677 0.000 -3.938) 3.996 4.451 ( -10.958 0.000 8.707) 13.996 4.612 ( 3.029 0.000 0.915) 3.164 4.662 ( -5.244 0.000 3.111) 6.098 4.888 ( 7.834 0.000 1.881) 8.057 4.936 ( -1.304 0.000 3.414) 3.655 5.050 ( -3.694 0.000 5.291) 6.453 5.058 ( 4.453 0.000 1.795) 4.802 5.070 ( 11.657 0.000 1.030) 11.702 5.211 ( 0.158 0.000 0.795) 0.811 5.236 ( 1.390 0.000 -2.158) 2.567 5.355 ( 1.481 0.000 -3.693) 3.979 5.463 ( -7.466 0.000 -0.494) 7.482 5.475 ( 1.507 0.000 -2.861) 3.234 5.534 ( -6.102 0.000 0.118) 6.103 5.645 ( -1.780 0.000 1.915) 2.614 5.748 ( 5.576 0.000 12.831) 13.990 5.944 ( -2.246 0.000 -1.895) 2.939 6.011 ( -3.967 0.000 -0.734) 4.034 6.150 ( 2.099 0.000 5.448) 5.839 6.213 ( 0.441 0.000 -2.782) 2.817 6.243 ( -0.315 0.000 -2.943) 2.960 6.488 ( 3.278 0.000 0.802) 3.375 6.590 ( -11.465 0.000 -2.817) 11.806 6.651 ( 0.066 0.000 -7.013) 7.013 6.749 ( 3.996 0.000 10.716) 11.436 6.758 ( 1.647 0.000 -7.121) 7.309 6.902 ( 3.061 0.000 -5.643) 6.420 7.025 ( 3.533 0.000 -2.447) 4.298 7.156 ( 1.790 0.000 2.342) 2.948 7.247 ( -0.900 0.000 -4.790) 4.874 7.299 ( 3.550 0.000 -2.210) 4.181 7.440 ( 8.139 0.000 -4.855) 9.476 7.542 ( -2.249 0.000 -2.889) 3.661 7.662 ( -7.006 0.000 2.170) 7.334 7.820 ( 0.342 0.000 4.373) 4.387 7.913 ( -4.636 0.000 -6.158) 7.708 8.008 ( 0.876 0.000 -6.493) 6.552 8.008 ( 0.921 0.000 -6.502) 6.567 8.315 ( -3.232 0.000 -0.737) 3.315 8.329 ( -4.199 0.000 2.228) 4.753 8.359 ( -4.717 0.000 -0.500) 4.744 8.517 ( 1.547 0.000 3.003) 3.378 8.547 ( 2.270 0.000 -2.144) 3.122 8.758 ( 1.435 0.000 3.331) 3.627 8.885 ( 4.286 0.000 -1.986) 4.723 9.008 ( 2.428 0.000 4.310) 4.947 9.043 ( 2.355 0.000 -0.294) 2.373 9.210 ( -6.991 0.000 0.768) 7.033 9.495 ( -3.732 0.000 -3.319) 4.994 9.533 ( 2.187 0.000 6.048) 6.431 9.679 ( -6.589 0.000 4.148) 7.786 9.927 ( 2.054 0.000 0.781) 2.198 9.975 ( -5.782 0.000 -0.965) 5.862 9.986 ( 7.922 0.000 4.744) 9.234 10.186 ( 3.451 0.000 -0.937) 3.576 13.416 ( -0.452 0.000 0.640) 0.783 13.468 ( 0.457 0.000 -0.083) 0.465 13.532 ( 3.394 0.000 -0.980) 3.533 13.559 ( 4.197 0.000 0.783) 4.270 14.136 ( 3.690 0.000 6.899) 7.824 14.288 ( -2.477 0.000 -0.499) 2.527 14.411 ( 0.097 0.000 3.601) 3.602 14.481 ( -0.072 0.000 0.324) 0.331 14.504 ( -0.098 0.000 0.283) 0.300 14.585 ( -1.661 0.000 0.703) 1.804 14.620 ( 4.378 0.000 1.697) 4.695 14.693 ( 2.684 0.000 -2.105) 3.411 14.910 ( 1.188 0.000 0.327) 1.232 15.092 ( 1.111 0.000 -3.952) 4.105 15.168 ( -4.312 0.000 2.913) 5.204 15.226 ( -3.576 0.000 -1.665) 3.945 15.430 ( -11.182 0.000 3.862) 11.830 15.450 ( -3.188 0.000 5.266) 6.156 15.614 ( 4.940 0.000 2.570) 5.568 15.722 ( 4.983 0.000 -5.337) 7.302 15.736 ( -9.329 0.000 0.968) 9.379 15.855 ( -0.486 0.000 1.311) 1.398 16.010 ( 0.059 0.000 -1.756) 1.757 16.030 ( -2.668 0.000 1.028) 2.860 16.319 ( 5.355 0.000 -3.168) 6.223 16.370 ( 8.303 0.000 -1.988) 8.537 16.417 ( 4.204 0.000 1.232) 4.381 16.503 ( -1.547 0.000 1.539) 2.182 17.075 ( -14.550 0.000 2.590) 14.779 17.274 ( -18.378 0.000 -17.184) 25.160 17.586 ( 10.637 0.000 -0.775) 10.665 17.946 ( 7.962 0.000 -0.700) 7.993 20.961 ( -0.662 0.000 -0.193) 0.690 20.987 ( -0.277 0.000 -0.536) 0.603 21.294 ( -4.058 0.000 3.731) 5.513 21.412 ( -0.116 0.000 0.636) 0.646 21.467 ( -1.284 0.000 0.709) 1.467 21.564 ( -2.203 0.000 -1.964) 2.951 21.657 ( 6.947 0.000 2.202) 7.288 21.874 ( 7.310 0.000 2.677) 7.785 22.227 ( -2.010 0.000 1.290) 2.388 22.284 ( 0.802 0.000 2.764) 2.878 22.393 ( 2.403 0.000 -0.968) 2.591 22.423 ( -0.954 0.000 2.437) 2.617 22.568 ( 4.211 0.000 1.667) 4.529 22.800 ( -1.991 0.000 0.499) 2.052 22.988 ( -3.263 0.000 -4.075) 5.221 23.172 ( 5.737 0.000 -4.219) 7.121 23.655 ( -2.000 0.000 -0.724) 2.127 23.878 ( -4.362 0.000 -7.014) 8.260 24.080 ( 1.682 0.000 2.611) 3.106 24.109 ( 5.982 0.000 0.190) 5.985 24.235 ( -0.848 0.000 1.916) 2.096 24.260 ( -4.597 0.000 -0.582) 4.634 24.331 ( -0.445 0.000 0.744) 0.867 24.399 ( 2.919 0.000 -2.186) 3.647 24.404 ( 1.425 0.000 5.135) 5.329 24.420 ( 1.931 0.000 4.538) 4.932 24.470 ( -2.704 0.000 -0.102) 2.706 24.697 ( 4.758 0.000 -0.146) 4.760 25.115 ( -1.848 0.000 0.470) 1.907 25.225 ( -1.740 0.000 3.203) 3.645 25.403 ( -7.137 0.000 -2.365) 7.518 25.496 ( -0.185 0.000 -10.793) 10.794 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -11.052 0.000 15.513) 19.048 0.793 ( -17.901 0.000 19.471) 26.449 1.336 ( -37.350 0.000 23.461) 44.107 1.638 ( -4.933 0.000 -15.860) 16.609 1.709 ( -7.271 0.000 8.018) 10.824 2.082 ( 1.251 0.000 -5.628) 5.766 2.139 ( -1.048 0.000 12.173) 12.218 2.145 ( 10.647 0.000 1.277) 10.723 2.273 ( -5.811 0.000 -2.524) 6.336 2.362 ( -2.553 0.000 -1.489) 2.956 2.400 ( 1.615 0.000 -2.659) 3.111 2.559 ( -0.115 0.000 0.286) 0.308 2.643 ( -0.282 0.000 -5.252) 5.260 2.651 ( 9.632 0.000 1.774) 9.794 2.693 ( 4.864 0.000 -14.411) 15.210 2.735 ( 8.782 0.000 3.291) 9.378 2.865 ( 8.297 0.000 -9.877) 12.900 2.916 ( -1.399 0.000 -2.801) 3.131 2.961 ( -1.789 0.000 7.500) 7.710 3.022 ( -3.351 0.000 -1.953) 3.879 3.060 ( 4.314 0.000 -1.293) 4.503 3.105 ( -4.051 0.000 3.155) 5.135 3.162 ( 1.802 0.000 -10.006) 10.167 3.286 ( 4.285 0.000 3.096) 5.286 3.373 ( -5.528 0.000 -4.456) 7.101 3.522 ( -0.760 0.000 -9.659) 9.689 3.541 ( 0.816 0.000 0.464) 0.938 3.658 ( 4.408 0.000 11.745) 12.545 3.690 ( -3.811 0.000 3.063) 4.890 3.821 ( -2.992 0.000 9.484) 9.945 3.872 ( 0.711 0.000 12.615) 12.635 3.916 ( -3.002 0.000 -0.980) 3.158 4.050 ( -1.248 0.000 -11.387) 11.455 4.062 ( 12.279 0.000 9.543) 15.551 4.162 ( -4.175 0.000 -10.034) 10.868 4.226 ( -8.478 0.000 12.961) 15.487 4.427 ( -0.017 0.000 -2.920) 2.920 4.449 ( 6.604 0.000 -6.441) 9.225 4.576 ( -3.345 0.000 1.727) 3.765 4.674 ( 5.417 0.000 0.914) 5.493 4.898 ( -3.019 0.000 1.665) 3.448 4.968 ( -2.441 0.000 6.549) 6.989 5.040 ( 6.978 0.000 -1.585) 7.156 5.121 ( 0.523 0.000 -3.121) 3.164 5.157 ( -2.479 0.000 6.198) 6.675 5.263 ( 7.352 0.000 -1.890) 7.592 5.294 ( 1.796 0.000 -1.961) 2.659 5.339 ( -3.300 0.000 1.066) 3.468 5.387 ( 2.515 0.000 0.887) 2.667 5.398 ( -6.411 0.000 6.366) 9.035 5.504 ( 2.485 0.000 -3.789) 4.531 5.690 ( 3.621 0.000 0.226) 3.628 5.871 ( -4.957 0.000 -0.522) 4.985 5.880 ( 6.121 0.000 7.602) 9.759 5.953 ( -0.355 0.000 1.466) 1.508 6.142 ( -2.260 0.000 -5.806) 6.230 6.237 ( 4.320 0.000 10.448) 11.306 6.272 ( 1.806 0.000 -8.534) 8.722 6.346 ( -12.251 0.000 0.593) 12.265 6.496 ( -1.025 0.000 4.521) 4.636 6.638 ( -1.996 0.000 -7.050) 7.327 6.791 ( 2.586 0.000 -7.433) 7.869 6.846 ( 5.184 0.000 3.350) 6.172 7.038 ( 8.590 0.000 -3.041) 9.112 7.129 ( 5.886 0.000 -0.990) 5.968 7.161 ( -4.643 0.000 -3.276) 5.682 7.227 ( 4.495 0.000 2.196) 5.003 7.381 ( 2.263 0.000 -3.322) 4.019 7.488 ( -3.494 0.000 -2.192) 4.125 7.509 ( -6.012 0.000 8.776) 10.638 7.592 ( 5.178 0.000 -10.245) 11.480 7.787 ( -8.307 0.000 -4.098) 9.262 7.825 ( 0.029 0.000 1.001) 1.001 7.959 ( -2.918 0.000 -4.250) 5.156 8.090 ( 6.919 0.000 -3.367) 7.695 8.233 ( -5.412 0.000 2.288) 5.875 8.237 ( -3.988 0.000 -0.307) 3.999 8.326 ( 0.296 0.000 -1.724) 1.749 8.545 ( 1.072 0.000 2.063) 2.325 8.571 ( -0.333 0.000 -1.095) 1.144 8.810 ( 3.988 0.000 1.622) 4.305 8.930 ( -2.646 0.000 2.007) 3.321 8.941 ( -6.021 0.000 3.386) 6.908 9.068 ( -0.360 0.000 -4.098) 4.114 9.218 ( 8.048 0.000 -1.337) 8.158 9.372 ( -10.057 0.000 -3.527) 10.658 9.539 ( -2.821 0.000 -0.118) 2.824 9.561 ( -4.891 0.000 1.337) 5.070 9.872 ( -3.662 0.000 2.604) 4.493 9.969 ( 1.876 0.000 0.910) 2.085 10.136 ( 6.931 0.000 4.319) 8.166 10.246 ( 2.524 0.000 -0.402) 2.556 13.431 ( 1.720 0.000 1.090) 2.037 13.483 ( 0.878 0.000 -0.620) 1.075 13.610 ( 3.978 0.000 -0.760) 4.050 13.630 ( 2.695 0.000 1.014) 2.879 14.231 ( 4.861 0.000 2.651) 5.537 14.236 ( -2.485 0.000 -0.264) 2.499 14.409 ( -0.485 0.000 3.981) 4.011 14.501 ( 0.046 0.000 1.202) 1.203 14.530 ( 1.709 0.000 2.674) 3.174 14.576 ( 6.478 0.000 5.910) 8.769 14.719 ( 5.353 0.000 1.051) 5.455 14.767 ( 4.757 0.000 -3.216) 5.742 14.944 ( 2.388 0.000 -0.681) 2.483 15.022 ( -6.082 0.000 -0.616) 6.113 15.150 ( -2.019 0.000 1.308) 2.406 15.165 ( -1.053 0.000 0.206) 1.073 15.260 ( -2.557 0.000 1.406) 2.918 15.398 ( -1.644 0.000 7.513) 7.690 15.523 ( -8.544 0.000 4.712) 9.757 15.706 ( -4.405 0.000 0.445) 4.428 15.756 ( 6.716 0.000 0.518) 6.736 15.913 ( 3.144 0.000 1.561) 3.510 15.979 ( -2.036 0.000 2.369) 3.124 16.050 ( 5.205 0.000 -7.153) 8.847 16.375 ( 0.931 0.000 -0.977) 1.349 16.470 ( -2.104 0.000 -0.317) 2.128 16.487 ( -2.276 0.000 -9.013) 9.295 16.517 ( 6.506 0.000 -0.540) 6.528 16.790 ( -13.668 0.000 1.126) 13.715 16.819 ( -26.710 0.000 -15.939) 31.104 17.765 ( 7.096 0.000 0.947) 7.159 18.084 ( 6.120 0.000 -0.098) 6.121 20.949 ( -0.491 0.000 -0.152) 0.514 20.980 ( -0.329 0.000 -0.547) 0.638 21.221 ( -2.905 0.000 3.552) 4.589 21.417 ( 0.613 0.000 -0.409) 0.736 21.457 ( -0.149 0.000 0.548) 0.568 21.526 ( -1.543 0.000 -1.146) 1.923 21.781 ( 5.276 0.000 2.869) 6.006 22.036 ( 8.799 0.000 1.700) 8.961 22.183 ( -2.332 0.000 1.372) 2.706 22.306 ( 1.298 0.000 4.232) 4.427 22.381 ( -2.988 0.000 -2.368) 3.812 22.437 ( 1.928 0.000 -1.194) 2.268 22.664 ( 2.595 0.000 -2.296) 3.464 22.823 ( 8.368 0.000 10.682) 13.569 22.935 ( -1.944 0.000 -4.440) 4.847 23.270 ( 3.460 0.000 -2.139) 4.068 23.646 ( 1.824 0.000 -4.562) 4.913 23.746 ( -10.844 0.000 -9.169) 14.201 24.092 ( -1.730 0.000 4.103) 4.453 24.180 ( -2.252 0.000 0.895) 2.423 24.181 ( 0.326 0.000 -0.037) 0.328 24.248 ( 2.211 0.000 2.481) 3.324 24.318 ( 0.421 0.000 0.785) 0.891 24.380 ( -2.967 0.000 0.472) 3.004 24.419 ( 0.045 0.000 0.943) 0.944 24.496 ( 3.432 0.000 -2.629) 4.323 24.558 ( 13.504 0.000 11.529) 17.756 24.788 ( 4.132 0.000 0.259) 4.140 25.078 ( -1.541 0.000 0.042) 1.542 25.169 ( -3.718 0.000 2.146) 4.293 25.269 ( -5.971 0.000 -1.947) 6.280 25.392 ( -12.417 0.000 -15.474) 19.840 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 3.908 20.667 10.198) 23.376 0.738 ( -2.859 20.935 11.873) 24.237 1.374 ( 1.195 31.253 21.497) 37.951 1.619 ( 0.814 1.217 -6.671) 6.830 1.701 ( 0.137 8.081 -3.419) 8.775 2.059 ( 0.192 -1.918 -5.527) 5.854 2.096 ( -3.116 3.291 15.379) 16.033 2.252 ( 1.244 0.371 -0.669) 1.460 2.276 ( 1.781 -5.794 -8.706) 10.609 2.343 ( 0.674 -0.983 -0.813) 1.443 2.370 ( 1.963 -4.785 3.887) 6.470 2.479 ( -1.218 -7.809 -1.182) 7.992 2.579 ( 2.151 -1.018 0.471) 2.425 2.673 ( 0.080 -2.197 -4.013) 4.576 2.746 ( 2.156 -2.614 -5.872) 6.780 2.783 ( -0.106 -3.889 1.933) 4.344 2.846 ( 2.416 -3.389 -9.012) 9.927 2.911 ( 1.584 -0.066 2.814) 3.230 2.944 ( -1.903 -5.055 -4.209) 6.848 2.977 ( -3.881 -2.011 -2.019) 4.815 3.081 ( 0.071 2.406 -2.027) 3.147 3.088 ( -4.243 -3.125 -0.004) 5.269 3.135 ( -4.808 2.746 -4.282) 7.000 3.251 ( -2.654 0.334 -2.428) 3.612 3.390 ( 1.867 -1.358 -0.471) 2.357 3.477 ( 5.161 0.352 0.667) 5.216 3.510 ( -1.610 -2.421 3.613) 4.638 3.645 ( 1.864 -2.675 1.159) 3.460 3.688 ( -1.583 -2.699 9.410) 9.917 3.791 ( 0.686 1.970 5.179) 5.583 3.843 ( -3.698 2.280 -0.039) 4.344 3.961 ( -1.369 4.593 9.195) 10.369 4.028 ( 1.068 -9.017 15.634) 18.079 4.137 ( 1.801 6.565 2.596) 7.286 4.222 ( 2.260 6.163 -11.209) 12.989 4.327 ( 0.048 -1.785 -8.110) 8.305 4.418 ( 1.869 5.076 9.047) 10.541 4.471 ( 0.009 4.721 -0.732) 4.777 4.620 ( -0.278 5.319 -0.706) 5.373 4.774 ( -2.357 -1.118 -0.357) 2.633 4.795 ( -0.531 -3.669 2.665) 4.566 4.977 ( 0.631 -3.098 5.178) 6.067 5.075 ( 1.209 -6.731 2.478) 7.274 5.105 ( -0.968 0.441 -6.634) 6.719 5.175 ( -1.638 -1.431 -2.801) 3.546 5.189 ( 1.665 0.932 -2.980) 3.539 5.324 ( -0.908 0.634 4.607) 4.738 5.377 ( -0.254 4.103 6.455) 7.653 5.429 ( 4.043 2.198 1.404) 4.811 5.497 ( 2.586 2.832 -0.392) 3.855 5.639 ( -0.088 2.490 0.254) 2.505 5.648 ( -4.648 -0.857 -2.559) 5.375 5.738 ( 1.622 1.596 1.614) 2.790 5.913 ( -3.585 -2.890 -1.396) 4.812 5.977 ( 0.103 3.142 -4.667) 5.627 6.061 ( -2.161 -0.424 1.830) 2.863 6.093 ( 2.285 -1.970 -3.906) 4.936 6.258 ( 2.432 -0.459 2.601) 3.590 6.392 ( 3.142 -0.656 -11.526) 11.964 6.585 ( -3.989 -0.809 2.598) 4.828 6.606 ( -3.826 -0.799 -6.425) 7.521 6.702 ( 1.434 -2.867 0.492) 3.243 6.843 ( -2.416 -7.395 2.287) 8.108 7.003 ( -1.160 2.094 -2.282) 3.307 7.161 ( 1.756 -3.791 0.285) 4.188 7.212 ( 1.656 -1.716 -0.869) 2.538 7.316 ( 7.712 -0.129 -2.031) 7.976 7.383 ( -0.849 -2.703 0.482) 2.874 7.400 ( -5.832 0.927 -0.373) 5.917 7.507 ( 0.706 5.926 2.085) 6.322 7.616 ( 5.009 -5.128 -2.342) 7.541 7.708 ( -0.860 -1.336 -2.164) 2.684 7.823 ( -0.496 -4.431 -1.860) 4.831 7.899 ( -3.792 -7.158 -2.676) 8.531 8.099 ( 3.351 5.879 -4.930) 8.372 8.191 ( 4.470 -2.486 -0.065) 5.115 8.300 ( 3.043 2.263 -5.727) 6.869 8.382 ( -1.110 3.661 -0.851) 3.919 8.531 ( -0.239 -1.087 2.662) 2.885 8.567 ( 1.986 0.412 2.241) 3.023 8.727 ( -6.551 -2.619 5.010) 8.653 8.859 ( 3.907 -2.909 2.220) 5.353 8.961 ( -6.703 2.066 -4.246) 8.199 8.970 ( -4.499 -0.172 1.056) 4.624 9.256 ( 2.654 3.083 -0.114) 4.069 9.430 ( -0.960 0.247 -2.362) 2.561 9.514 ( 0.599 8.971 -2.225) 9.262 9.647 ( 1.328 6.562 -4.727) 8.196 9.881 ( 0.048 3.913 4.775) 6.174 9.986 ( -0.536 0.631 0.599) 1.021 10.168 ( -0.046 -3.450 2.946) 4.537 10.241 ( 0.042 -3.189 -0.078) 3.190 13.462 ( 0.191 0.912 1.318) 1.614 13.505 ( -0.221 0.926 -0.528) 1.088 13.620 ( -1.247 -2.291 0.765) 2.718 13.645 ( 0.650 -1.746 -0.417) 1.909 14.192 ( -2.408 -2.830 5.540) 6.671 14.223 ( 0.184 1.456 -0.314) 1.501 14.359 ( -0.326 -2.909 0.965) 3.082 14.468 ( -0.810 -2.891 1.129) 3.207 14.498 ( -0.622 -1.082 1.557) 1.996 14.662 ( 1.566 -7.772 4.369) 9.052 14.809 ( 3.043 0.150 -0.272) 3.059 14.843 ( 3.734 0.238 -2.008) 4.247 14.897 ( -3.932 -0.195 0.562) 3.977 14.917 ( -1.621 -1.457 0.570) 2.253 15.090 ( 1.110 0.553 0.006) 1.240 15.200 ( 1.980 -2.666 -0.709) 3.396 15.300 ( -3.090 0.700 6.809) 7.510 15.401 ( -0.516 3.368 2.757) 4.383 15.449 ( -0.812 0.111 2.133) 2.285 15.579 ( -3.075 -2.178 3.812) 5.361 15.795 ( 1.152 4.410 -0.255) 4.566 15.873 ( 1.626 0.331 3.173) 3.581 16.020 ( -1.804 3.070 -0.477) 3.593 16.127 ( 3.576 -2.533 -7.898) 9.032 16.218 ( 1.575 -3.438 0.531) 3.819 16.337 ( -2.930 -2.797 -1.203) 4.226 16.442 ( 0.994 -0.168 1.533) 1.835 16.578 ( 1.513 -2.802 0.018) 3.185 16.794 ( -0.352 15.881 0.132) 15.885 17.103 ( 3.776 20.854 -15.147) 26.049 17.783 ( 1.133 -6.176 2.195) 6.652 18.009 ( -0.835 -10.446 0.138) 10.480 21.013 ( -0.053 3.867 -0.364) 3.884 21.088 ( 1.134 6.318 -3.662) 7.390 21.187 ( -0.175 -0.367 3.025) 3.052 21.414 ( 1.377 -2.921 -1.032) 3.391 21.519 ( -1.274 3.225 0.229) 3.475 21.623 ( 2.180 9.190 -5.450) 10.904 21.830 ( -0.107 -0.333 2.054) 2.084 22.138 ( -6.265 -1.811 1.361) 6.662 22.146 ( 0.274 1.051 -0.060) 1.088 22.229 ( -0.957 -1.248 -4.485) 4.753 22.381 ( 2.331 -0.751 2.231) 3.312 22.496 ( 0.515 2.032 -0.297) 2.118 22.644 ( -1.726 -0.950 -3.947) 4.411 22.847 ( 1.062 -5.040 -0.720) 5.201 23.056 ( -8.013 1.330 2.427) 8.478 23.155 ( 4.460 -5.857 5.748) 9.340 23.471 ( -2.407 0.588 -6.789) 7.227 23.659 ( 2.768 -5.550 -7.566) 9.783 24.046 ( -4.089 2.302 2.541) 5.336 24.174 ( 0.012 -0.330 0.569) 0.658 24.205 ( 2.188 0.556 1.302) 2.606 24.248 ( -1.468 0.688 1.440) 2.168 24.327 ( 0.324 -1.382 -0.038) 1.420 24.335 ( 2.170 -2.818 -0.521) 3.594 24.401 ( -2.527 2.446 3.658) 5.075 24.515 ( 0.851 -1.276 4.957) 5.189 24.848 ( 0.234 1.026 0.708) 1.268 24.896 ( -3.220 -0.796 -0.110) 3.318 25.071 ( -0.886 0.256 -0.430) 1.017 25.119 ( -2.486 1.059 0.123) 2.705 25.134 ( 9.147 0.938 -1.858) 9.381 25.187 ( 0.345 -0.886 -1.710) 1.956 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 13.039 22.045 5.047) 26.105 0.923 ( 15.708 16.217 10.610) 24.946 1.605 ( 17.426 18.858 11.801) 28.259 1.721 ( 7.242 2.814 -3.914) 8.700 1.826 ( 11.656 8.206 0.172) 14.256 2.014 ( -2.566 -1.400 -4.256) 5.163 2.082 ( -0.222 -1.742 6.976) 7.194 2.233 ( -4.272 -0.628 -6.393) 7.715 2.286 ( 3.272 -5.039 5.849) 8.385 2.354 ( 1.099 -1.232 -5.319) 5.570 2.403 ( -1.705 -2.261 1.093) 3.036 2.470 ( -1.073 -5.973 -0.752) 6.115 2.601 ( -0.100 1.640 1.614) 2.303 2.672 ( -9.108 -0.556 5.138) 10.472 2.716 ( 3.887 -4.489 -3.269) 6.778 2.733 ( -1.879 0.695 -8.211) 8.452 2.807 ( -5.298 0.190 -2.579) 5.896 2.837 ( -3.926 -0.142 -5.873) 7.066 2.882 ( -9.437 -4.201 1.218) 10.402 2.979 ( 2.242 -2.793 -1.864) 4.038 3.030 ( 2.633 -3.864 -5.087) 6.910 3.072 ( 2.960 0.367 -4.690) 5.558 3.167 ( 5.156 0.284 -1.526) 5.384 3.251 ( 1.744 1.465 -2.226) 3.185 3.321 ( -5.532 3.655 0.576) 6.655 3.483 ( -4.648 -4.599 4.219) 7.782 3.566 ( 1.156 -0.038 1.179) 1.652 3.592 ( -3.704 -5.275 9.998) 11.896 3.724 ( 3.104 -0.547 -1.245) 3.389 3.772 ( 1.449 0.791 3.532) 3.899 3.844 ( 1.140 1.028 4.895) 5.130 3.931 ( -0.853 1.479 11.460) 11.586 4.098 ( -0.234 3.044 -3.153) 4.389 4.199 ( 3.355 -1.671 6.935) 7.883 4.245 ( 1.636 3.648 -1.047) 4.133 4.290 ( 2.592 5.345 -1.989) 6.265 4.427 ( 0.702 1.016 -2.098) 2.434 4.537 ( -3.632 4.891 0.064) 6.093 4.622 ( 0.549 1.704 -0.134) 1.795 4.699 ( -1.852 0.927 0.871) 2.247 4.785 ( 0.073 -4.097 3.213) 5.207 4.926 ( -3.880 -4.415 4.125) 7.181 5.042 ( -3.454 -4.152 -0.610) 5.435 5.094 ( -1.747 4.223 -1.219) 4.729 5.139 ( -4.386 -2.625 -2.002) 5.490 5.213 ( 0.434 -0.110 4.624) 4.646 5.318 ( 0.962 -4.482 0.557) 4.618 5.374 ( -1.040 0.570 5.705) 5.827 5.434 ( -2.578 1.505 2.536) 3.917 5.458 ( -1.376 3.092 -0.120) 3.386 5.567 ( -0.997 -1.636 -2.751) 3.353 5.655 ( 0.395 0.451 0.668) 0.897 5.810 ( -1.294 0.935 1.576) 2.243 5.856 ( -1.236 -0.126 3.778) 3.977 5.952 ( 2.600 3.945 -3.024) 5.610 6.064 ( 2.080 1.989 -7.750) 8.267 6.221 ( 7.575 4.375 -2.484) 9.093 6.296 ( 1.401 -0.825 2.864) 3.293 6.450 ( -0.965 -4.204 -9.340) 10.288 6.456 ( -2.243 -1.281 1.570) 3.023 6.564 ( 0.866 5.919 -2.764) 6.589 6.733 ( 0.863 -4.339 -3.062) 5.381 6.817 ( -1.151 -7.178 -1.778) 7.484 6.960 ( -2.417 1.691 -4.615) 5.477 7.104 ( -5.549 -4.695 0.708) 7.303 7.234 ( 0.090 -0.564 1.698) 1.792 7.288 ( -5.738 1.126 0.798) 5.902 7.344 ( -3.374 1.779 0.515) 3.849 7.412 ( 3.102 0.072 -4.220) 5.238 7.593 ( 4.332 -2.932 -2.374) 5.745 7.704 ( 0.198 -2.197 1.769) 2.828 7.744 ( 2.446 -9.633 -1.047) 9.994 7.831 ( 5.965 -2.556 -2.504) 6.956 7.924 ( 5.094 -1.247 -6.036) 7.997 8.128 ( 0.956 3.726 -4.871) 6.206 8.220 ( -3.500 3.441 4.320) 6.539 8.325 ( -0.575 0.833 -1.568) 1.867 8.409 ( 5.579 1.091 -5.617) 7.991 8.542 ( -0.922 -1.525 1.420) 2.279 8.600 ( -3.086 -1.163 7.939) 8.597 8.652 ( 4.389 0.405 2.941) 5.298 8.811 ( -6.159 -4.760 -6.003) 9.830 8.866 ( -3.605 1.413 2.916) 4.847 8.989 ( 3.786 -2.147 -3.755) 5.748 9.228 ( -2.926 3.921 3.466) 5.996 9.472 ( 4.754 1.049 -0.018) 4.868 9.523 ( 1.247 7.097 -2.202) 7.534 9.731 ( 4.212 2.783 -0.224) 5.054 9.893 ( 1.625 3.990 2.837) 5.158 9.960 ( -1.776 0.995 0.509) 2.098 10.118 ( -4.502 -2.126 3.779) 6.251 10.214 ( -2.439 -2.795 -0.287) 3.721 13.446 ( -1.267 0.829 1.895) 2.425 13.487 ( -1.380 0.952 -0.565) 1.769 13.569 ( -3.535 -1.948 -0.263) 4.045 13.621 ( -2.848 -1.670 0.234) 3.310 14.132 ( -2.678 0.798 6.409) 6.992 14.255 ( 2.885 1.621 -0.887) 3.426 14.353 ( -0.149 -2.619 2.326) 3.506 14.467 ( -0.088 -1.459 1.088) 1.822 14.487 ( 0.394 -3.055 0.537) 3.127 14.602 ( -4.613 -4.759 3.061) 7.300 14.756 ( -4.730 1.713 0.207) 5.035 14.822 ( -5.441 0.547 1.783) 5.751 14.916 ( 1.985 1.013 0.399) 2.264 14.955 ( 5.281 1.652 -1.881) 5.845 15.140 ( 3.662 1.196 -0.466) 3.881 15.246 ( 1.908 -3.659 0.930) 4.230 15.276 ( 2.332 1.302 0.938) 2.831 15.405 ( 2.259 -1.077 2.260) 3.372 15.485 ( 1.045 4.776 2.866) 5.667 15.585 ( 4.779 -3.128 0.974) 5.794 15.868 ( 3.596 5.705 0.815) 6.793 15.919 ( 3.434 0.987 2.632) 4.438 15.989 ( -1.172 5.124 0.904) 5.334 16.098 ( -4.526 -4.897 -5.986) 8.961 16.241 ( -1.194 -0.000 -1.555) 1.961 16.364 ( 2.131 -0.586 -2.747) 3.526 16.526 ( 2.979 -3.817 1.396) 5.040 16.582 ( 0.568 -3.281 1.537) 3.668 16.833 ( 4.818 11.110 -1.236) 12.172 17.250 ( 10.883 7.156 -14.534) 19.516 17.746 ( -4.884 -6.262 2.804) 8.422 17.926 ( -7.270 -8.483 -1.146) 11.231 21.016 ( 0.391 3.952 -0.407) 3.992 21.099 ( 0.015 7.867 -2.906) 8.387 21.213 ( 2.779 -0.550 3.003) 4.128 21.442 ( 1.028 -2.950 0.123) 3.127 21.501 ( -0.168 2.751 -0.571) 2.814 21.627 ( -2.321 8.646 -4.386) 9.969 21.764 ( -5.422 -2.206 3.818) 6.989 21.884 ( -11.861 0.388 2.760) 12.184 22.189 ( 2.494 1.594 0.967) 3.114 22.252 ( 1.190 0.976 -1.170) 1.934 22.413 ( -0.083 -1.466 -0.646) 1.604 22.495 ( -0.346 1.686 1.303) 2.159 22.574 ( -4.814 0.123 0.323) 4.827 22.832 ( -0.906 -0.289 3.493) 3.620 22.922 ( -0.059 0.560 -2.617) 2.677 23.196 ( -2.649 -3.455 -1.667) 4.662 23.573 ( 9.058 -3.531 -5.477) 11.159 23.711 ( 2.270 -5.648 -4.551) 7.600 23.986 ( -2.024 1.319 2.738) 3.652 24.169 ( -1.672 -2.288 -0.065) 2.834 24.223 ( -0.085 1.147 1.467) 1.864 24.255 ( 2.691 1.535 -0.200) 3.105 24.334 ( -2.932 2.531 4.044) 5.600 24.346 ( 1.697 -0.339 -0.190) 1.741 24.383 ( 1.662 -0.910 0.062) 1.896 24.515 ( -0.943 -1.108 4.601) 4.826 24.678 ( -10.132 3.361 2.541) 10.973 24.788 ( -5.747 0.087 -0.150) 5.749 25.098 ( 1.792 0.172 0.008) 1.800 25.118 ( 2.605 -0.284 0.457) 2.660 25.243 ( 5.219 0.668 -2.706) 5.917 25.437 ( 11.527 -6.412 -6.276) 14.607 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 17.980 14.111 3.465) 23.117 1.250 ( 16.987 14.036 4.748) 22.541 1.667 ( -10.769 8.244 3.474) 14.000 1.856 ( 1.644 2.220 -12.354) 12.659 1.981 ( -0.991 -3.097 -1.921) 3.777 1.988 ( 3.492 -0.630 2.670) 4.440 2.104 ( -2.716 -0.957 0.473) 2.919 2.246 ( -3.473 -3.872 -5.604) 7.646 2.313 ( 7.200 -1.881 -5.804) 9.438 2.354 ( -3.657 -1.269 0.454) 3.898 2.405 ( 3.385 -2.585 -1.508) 4.518 2.475 ( -4.134 0.258 6.059) 7.339 2.517 ( 10.279 1.576 -1.432) 10.498 2.602 ( -7.292 -1.206 0.782) 7.432 2.646 ( 0.683 -0.976 2.393) 2.673 2.721 ( -0.848 0.779 1.178) 1.648 2.767 ( 1.455 4.927 -4.434) 6.786 2.817 ( 5.344 1.635 -1.915) 5.908 2.919 ( 2.653 -0.173 -5.797) 6.378 2.957 ( -0.886 -1.383 -3.834) 4.172 3.056 ( 2.730 1.295 -1.385) 3.323 3.135 ( 3.316 -2.833 -0.975) 4.469 3.232 ( -3.612 -0.249 1.032) 3.764 3.284 ( 0.201 2.327 1.469) 2.759 3.333 ( 5.661 -0.466 -0.702) 5.723 3.407 ( 2.787 -3.886 2.379) 5.341 3.527 ( 1.394 1.562 3.070) 3.716 3.562 ( -3.687 -5.141 5.642) 8.477 3.692 ( -7.470 3.399 5.705) 9.995 3.780 ( -3.955 3.481 6.846) 8.639 3.820 ( -3.782 -2.139 3.387) 5.509 3.992 ( 8.477 -2.811 6.181) 10.861 4.069 ( -8.039 5.457 -4.538) 10.724 4.199 ( -5.134 6.608 -3.089) 8.920 4.248 ( -2.400 1.237 3.216) 4.199 4.323 ( -0.589 3.995 -0.731) 4.104 4.421 ( 7.400 -2.734 4.960) 9.318 4.477 ( 3.491 2.607 -3.937) 5.873 4.654 ( 0.122 -0.686 4.120) 4.179 4.721 ( 1.094 2.320 -0.273) 2.580 4.792 ( -0.458 -5.437 1.054) 5.557 4.877 ( -1.418 -4.735 0.577) 4.977 4.975 ( -7.182 -3.825 1.652) 8.303 4.989 ( -3.039 -1.596 1.124) 3.612 5.046 ( -2.929 1.527 3.162) 4.572 5.174 ( -3.799 1.485 5.519) 6.863 5.308 ( -2.785 -1.352 -1.066) 3.274 5.371 ( -0.901 1.081 3.710) 3.968 5.427 ( 2.918 -3.590 3.263) 5.662 5.466 ( 0.724 1.041 -2.238) 2.572 5.579 ( 0.794 -6.720 1.934) 7.038 5.692 ( 5.185 -3.692 -3.013) 7.043 5.759 ( -3.504 -3.940 1.529) 5.490 5.808 ( -0.063 9.415 0.067) 9.416 6.019 ( -0.641 0.281 -5.753) 5.795 6.145 ( 6.530 5.453 -0.714) 8.537 6.253 ( -3.646 5.185 7.193) 9.588 6.345 ( 1.490 1.442 -5.808) 6.167 6.389 ( 0.419 -1.226 -2.043) 2.419 6.507 ( 3.579 -2.752 -6.808) 8.169 6.653 ( 4.848 3.999 -1.951) 6.580 6.734 ( -0.285 -1.586 -3.248) 3.625 6.832 ( 4.164 -7.044 -3.847) 9.042 6.914 ( -2.165 2.327 -3.734) 4.904 7.002 ( -4.351 -2.597 -1.968) 5.436 7.158 ( -6.021 1.921 -0.464) 6.337 7.227 ( -1.766 2.074 4.570) 5.320 7.294 ( -0.625 2.426 -2.800) 3.757 7.466 ( 2.214 1.032 -6.046) 6.520 7.548 ( -6.773 -6.495 2.004) 9.596 7.709 ( 0.576 -3.437 -2.281) 4.165 7.825 ( 4.859 -3.158 -1.674) 6.032 7.926 ( 2.459 -1.126 -2.920) 3.980 8.024 ( 3.208 -0.616 -7.745) 8.406 8.101 ( -5.561 9.086 5.374) 11.931 8.199 ( 4.862 -1.144 -2.679) 5.668 8.325 ( -0.316 -3.462 -0.423) 3.502 8.464 ( -0.005 0.189 -1.725) 1.735 8.503 ( -0.437 0.589 1.480) 1.652 8.612 ( -0.257 -8.075 4.480) 9.238 8.665 ( -2.030 -1.924 0.602) 2.861 8.706 ( -3.588 -3.949 3.931) 6.627 8.889 ( 5.807 1.933 -5.910) 8.508 8.996 ( -1.914 1.201 -1.125) 2.525 9.239 ( 3.315 2.428 5.675) 7.007 9.515 ( -0.305 -4.135 4.135) 5.856 9.610 ( 5.690 5.555 -1.366) 8.068 9.744 ( -1.246 2.635 4.157) 5.077 9.911 ( -2.009 1.884 0.666) 2.833 9.976 ( 4.076 1.407 -0.273) 4.321 10.019 ( -4.755 -0.004 3.363) 5.824 10.161 ( -2.696 -2.003 -0.960) 3.493 13.434 ( 0.149 0.057 0.878) 0.892 13.462 ( -0.838 0.625 0.115) 1.052 13.500 ( -3.090 -1.079 -0.962) 3.412 13.554 ( -3.437 -1.044 0.364) 3.611 14.106 ( -0.319 2.517 5.193) 5.780 14.313 ( 2.259 1.160 -1.025) 2.738 14.360 ( 0.970 -2.195 2.885) 3.753 14.456 ( -0.630 -2.345 1.213) 2.714 14.512 ( -0.504 -3.404 2.056) 4.008 14.525 ( -1.303 -3.587 -1.001) 3.945 14.680 ( -2.872 2.771 -0.448) 4.015 14.724 ( -4.062 1.127 1.363) 4.430 14.930 ( -0.222 1.755 0.865) 1.969 15.044 ( 3.543 2.735 -2.934) 5.352 15.210 ( 1.865 -1.547 0.394) 2.455 15.269 ( 1.575 -1.595 -1.250) 2.567 15.362 ( 5.568 0.696 0.837) 5.674 15.470 ( 2.855 -0.650 2.306) 3.727 15.519 ( 2.637 2.738 0.751) 3.875 15.696 ( 5.790 -4.450 0.921) 7.360 15.905 ( -5.456 4.104 0.787) 6.873 15.942 ( 1.560 3.019 2.879) 4.454 15.989 ( 2.641 1.499 2.980) 4.254 16.072 ( 3.074 2.624 -5.355) 6.709 16.204 ( -1.638 2.478 -3.122) 4.309 16.352 ( -2.906 6.458 -2.001) 7.359 16.491 ( -3.353 0.623 2.416) 4.179 16.592 ( -1.444 -0.350 1.138) 1.872 16.995 ( 11.180 2.168 -1.962) 11.556 17.470 ( 11.081 -5.597 -8.463) 15.025 17.605 ( -9.204 -5.541 2.211) 10.968 17.748 ( -10.550 -6.395 -3.710) 12.882 21.025 ( 0.346 4.372 -0.288) 4.395 21.093 ( -0.404 8.987 -1.415) 9.106 21.287 ( 4.338 -0.529 3.040) 5.323 21.444 ( -0.611 -1.268 1.957) 2.411 21.499 ( -1.023 1.691 -0.849) 2.151 21.562 ( -2.036 0.048 1.697) 2.651 21.685 ( -4.050 1.400 1.526) 4.548 21.732 ( -3.174 -0.929 -0.446) 3.338 22.233 ( 1.699 1.343 0.053) 2.166 22.274 ( 1.394 1.689 0.453) 2.236 22.384 ( -2.104 -0.504 -1.524) 2.647 22.481 ( -1.002 4.622 5.622) 7.347 22.515 ( -1.110 -2.170 -1.529) 2.877 22.841 ( 0.620 -0.046 1.239) 1.386 22.956 ( 2.668 -1.593 -4.235) 5.253 23.123 ( -3.921 -3.108 -3.436) 6.070 23.711 ( 2.886 -2.784 -1.142) 4.170 23.769 ( 5.734 -2.575 -3.812) 7.351 23.969 ( 0.416 -1.535 0.407) 1.642 24.099 ( -4.891 -1.532 -0.509) 5.151 24.231 ( 0.257 0.274 2.374) 2.404 24.300 ( 1.067 1.836 0.765) 2.257 24.317 ( 2.130 2.419 -0.369) 3.244 24.371 ( -0.284 -0.758 -0.250) 0.847 24.407 ( 0.674 0.370 1.193) 1.419 24.481 ( -2.578 -0.640 5.521) 6.127 24.545 ( -2.934 1.667 1.040) 3.532 24.670 ( -5.631 -1.299 -0.840) 5.840 25.135 ( 1.525 0.495 0.649) 1.730 25.179 ( 3.022 -0.596 1.705) 3.521 25.353 ( 5.521 0.867 -4.233) 7.011 25.547 ( 0.989 -4.606 -5.053) 6.909 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -15.789 10.213 -1.034) 18.832 1.490 ( 8.011 6.403 7.243) 12.555 1.552 ( 13.136 8.076 -5.102) 16.242 1.722 ( -8.875 8.953 -0.839) 12.634 1.980 ( -0.903 -1.198 -0.891) 1.744 2.026 ( 0.278 1.443 -0.041) 1.470 2.076 ( 3.011 -3.202 -7.581) 8.763 2.168 ( -4.811 -3.654 -6.587) 8.938 2.314 ( 3.930 -1.128 -2.004) 4.553 2.372 ( -5.721 1.561 2.349) 6.378 2.379 ( -0.086 -7.071 -2.126) 7.384 2.472 ( 2.395 -6.309 -0.369) 6.758 2.495 ( 0.691 -3.628 -7.131) 8.031 2.642 ( -1.499 -1.235 -3.277) 3.809 2.704 ( 1.116 -1.030 0.391) 1.568 2.754 ( 1.343 6.489 -0.092) 6.627 2.833 ( 2.233 1.619 -2.838) 3.957 2.871 ( 3.163 0.722 0.724) 3.324 2.954 ( -1.076 -0.709 -2.403) 2.727 3.016 ( -4.434 -1.976 -2.144) 5.307 3.110 ( 2.961 2.204 0.328) 3.706 3.158 ( 3.080 -2.268 1.177) 4.002 3.223 ( -11.076 4.245 0.810) 11.889 3.263 ( 5.139 -1.223 2.972) 6.061 3.352 ( 2.976 0.566 3.152) 4.372 3.506 ( -1.224 -0.980 2.129) 2.644 3.555 ( 7.090 6.803 5.094) 11.067 3.607 ( -1.438 1.076 0.837) 1.981 3.617 ( -0.789 0.453 2.492) 2.653 3.654 ( 2.968 -0.723 6.565) 7.241 3.686 ( -4.694 3.894 6.586) 8.976 3.795 ( -4.416 1.440 9.285) 10.383 4.141 ( -0.658 4.382 2.273) 4.980 4.187 ( 1.828 8.384 -5.902) 10.415 4.302 ( -0.237 -0.222 -1.177) 1.221 4.329 ( 1.471 -3.161 -2.288) 4.170 4.452 ( -0.468 -0.246 -1.593) 1.679 4.529 ( -2.022 2.103 -1.591) 3.322 4.626 ( -3.797 -2.966 5.019) 6.958 4.723 ( -1.601 -7.556 3.085) 8.317 4.779 ( 1.477 1.589 4.302) 4.818 4.832 ( 3.802 -1.574 -0.319) 4.128 4.955 ( 2.171 -0.553 4.409) 4.946 4.973 ( 0.527 -2.692 2.878) 3.976 5.017 ( -0.295 -0.603 1.761) 1.884 5.137 ( 1.505 -2.727 4.074) 5.128 5.267 ( -0.650 -4.067 -1.921) 4.544 5.341 ( -1.849 -1.295 3.118) 3.850 5.417 ( -1.742 2.692 -5.311) 6.204 5.527 ( 1.146 -2.714 6.210) 6.874 5.591 ( 0.324 -2.223 2.271) 3.194 5.669 ( -2.429 -2.997 1.774) 4.246 5.774 ( -0.346 2.159 -3.758) 4.348 5.891 ( 6.830 0.741 -4.855) 8.413 5.993 ( 0.269 -2.278 -2.597) 3.465 6.124 ( -6.579 2.849 3.583) 8.015 6.240 ( 0.541 3.602 -2.749) 4.563 6.360 ( -3.703 2.780 -1.042) 4.746 6.412 ( 5.599 2.391 -2.243) 6.488 6.602 ( 4.191 -0.075 -2.849) 5.068 6.671 ( -2.009 -3.462 -1.410) 4.244 6.713 ( -1.400 -2.696 -5.331) 6.136 6.830 ( -0.415 2.301 -1.774) 2.935 6.925 ( -3.186 1.408 -3.225) 4.747 7.021 ( 4.166 -0.248 0.094) 4.174 7.106 ( 4.681 0.838 -5.854) 7.542 7.188 ( -1.805 2.908 3.762) 5.086 7.328 ( 2.230 2.183 -4.243) 5.267 7.379 ( -6.261 -0.939 -0.765) 6.377 7.519 ( 1.774 -0.898 -3.380) 3.921 7.715 ( -0.120 -3.440 -1.966) 3.964 7.870 ( -1.960 -4.890 -1.374) 5.445 7.934 ( -0.521 3.977 -0.979) 4.129 8.003 ( -2.630 3.653 -2.951) 5.382 8.055 ( 0.069 1.101 -1.945) 2.236 8.293 ( 3.327 -3.741 -4.251) 6.568 8.300 ( -2.399 -4.267 0.776) 4.956 8.460 ( -0.869 -0.312 0.250) 0.956 8.505 ( -0.587 1.695 1.551) 2.371 8.551 ( -3.835 -0.607 1.508) 4.165 8.610 ( 1.428 -7.592 1.908) 7.957 8.752 ( 3.737 -8.155 3.380) 9.586 8.931 ( -0.876 2.647 0.736) 2.883 9.038 ( 5.487 0.891 -4.207) 6.972 9.304 ( 2.030 2.221 5.254) 6.055 9.478 ( -2.908 -3.027 7.033) 8.190 9.633 ( -2.430 4.593 -0.010) 5.196 9.772 ( 0.988 -0.501 2.595) 2.821 9.879 ( 1.288 3.454 2.817) 4.639 9.943 ( -1.324 1.545 1.986) 2.844 10.045 ( 0.187 -0.211 -1.004) 1.043 10.123 ( -0.025 -1.214 -1.332) 1.802 13.440 ( -1.375 -0.564 -0.246) 1.507 13.447 ( 0.605 -0.735 -0.165) 0.966 13.486 ( 1.958 0.247 0.450) 2.025 13.507 ( -0.806 -0.224 -0.048) 0.838 14.114 ( 0.941 2.470 4.961) 5.621 14.323 ( -1.028 -0.068 -0.311) 1.077 14.386 ( 0.952 -2.037 1.823) 2.895 14.440 ( -0.953 -1.798 1.178) 2.352 14.478 ( -0.237 -3.683 0.844) 3.786 14.556 ( 2.089 -1.938 0.634) 2.920 14.637 ( -1.726 2.239 -1.081) 3.027 14.674 ( -1.004 0.527 -0.238) 1.158 14.922 ( -0.274 2.103 0.851) 2.285 15.093 ( 1.654 2.507 -3.172) 4.368 15.206 ( -1.384 -2.797 1.059) 3.295 15.283 ( -1.232 0.720 -1.112) 1.809 15.467 ( 1.410 -1.728 3.100) 3.819 15.484 ( 1.562 -1.472 0.213) 2.157 15.601 ( 6.227 3.040 -2.723) 7.445 15.740 ( -8.468 2.830 1.839) 9.116 15.777 ( -0.313 -3.330 2.049) 3.922 15.958 ( -1.260 3.354 1.173) 3.769 16.017 ( -0.590 1.493 3.177) 3.560 16.154 ( 2.621 5.810 -3.507) 7.275 16.206 ( 3.061 1.061 -2.142) 3.884 16.312 ( 1.189 7.618 -3.257) 8.370 16.447 ( -0.931 4.453 2.728) 5.305 16.548 ( -2.170 0.555 1.884) 2.927 17.202 ( 6.006 -1.719 0.769) 6.294 17.424 ( -5.523 -4.442 -0.734) 7.126 17.524 ( -12.220 -4.566 -7.683) 15.140 17.673 ( 9.513 -8.554 -3.378) 13.232 21.026 ( -0.148 4.629 -0.064) 4.632 21.085 ( -0.542 8.468 -1.119) 8.559 21.346 ( 0.278 -0.021 3.304) 3.316 21.422 ( -1.384 -0.804 2.073) 2.619 21.506 ( -0.452 -1.997 -0.706) 2.166 21.520 ( 0.949 -0.247 2.843) 3.008 21.624 ( -1.401 1.729 -1.335) 2.595 21.752 ( 3.976 -0.708 0.593) 4.082 22.247 ( -0.136 0.450 -0.022) 0.471 22.301 ( 0.554 1.757 0.626) 1.946 22.360 ( 0.646 0.511 -0.739) 1.106 22.471 ( -0.597 3.447 3.430) 4.899 22.514 ( 1.309 -0.571 0.483) 1.507 22.831 ( -1.759 -0.800 0.402) 1.974 23.003 ( 0.882 -2.929 -4.364) 5.330 23.070 ( 0.082 -1.932 -3.404) 3.915 23.705 ( -2.314 0.434 1.050) 2.578 23.880 ( 2.326 -2.943 -5.910) 7.000 24.003 ( 2.607 -1.872 -0.088) 3.211 24.020 ( -0.434 -2.242 0.287) 2.302 24.236 ( 0.160 -0.215 2.445) 2.460 24.309 ( -2.205 -0.972 1.513) 2.846 24.336 ( -0.071 0.933 -0.887) 1.289 24.363 ( 2.113 1.843 -1.707) 3.282 24.417 ( 0.563 1.431 2.352) 2.810 24.435 ( -2.038 0.611 4.201) 4.709 24.531 ( -1.353 0.340 0.717) 1.568 24.606 ( 0.862 -1.972 -0.287) 2.172 25.148 ( -0.241 0.877 0.848) 1.244 25.221 ( 1.044 -0.820 2.739) 3.044 25.439 ( 3.057 -0.554 -6.128) 6.871 25.509 ( -4.210 -2.126 -3.430) 5.831 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -18.237 15.295 -0.844) 23.816 1.323 ( -17.254 11.712 9.650) 22.978 1.714 ( 2.652 3.261 -10.817) 11.605 1.826 ( 6.204 6.321 1.988) 9.077 1.921 ( -1.841 -0.301 -0.646) 1.975 2.036 ( -0.895 0.080 3.500) 3.613 2.068 ( -1.365 -0.521 0.839) 1.685 2.210 ( -1.544 -2.436 -11.962) 12.305 2.289 ( 4.415 -2.361 -0.923) 5.091 2.357 ( -10.705 -1.541 1.327) 10.896 2.423 ( 2.396 -0.537 -1.237) 2.749 2.446 ( 6.973 -2.007 -0.220) 7.260 2.523 ( -9.539 -0.462 1.567) 9.678 2.613 ( 6.590 -1.473 -2.099) 7.071 2.697 ( -4.927 1.050 -5.692) 7.601 2.703 ( 0.007 4.562 2.521) 5.212 2.759 ( -5.613 3.061 -6.320) 8.990 2.868 ( -5.653 -5.724 1.460) 8.176 2.919 ( 2.150 -1.720 2.078) 3.449 2.988 ( 5.623 0.169 -3.339) 6.542 3.062 ( 0.959 0.864 -2.652) 2.950 3.098 ( -3.385 -0.426 0.718) 3.486 3.244 ( -3.574 0.537 -0.854) 3.713 3.266 ( 3.854 -2.058 -0.101) 4.370 3.417 ( -3.221 -1.155 -0.196) 3.427 3.480 ( -3.123 -0.511 3.537) 4.746 3.510 ( -0.672 -1.052 0.315) 1.288 3.597 ( 7.669 0.026 9.089) 11.892 3.615 ( -0.369 -4.054 8.666) 9.575 3.755 ( 4.081 0.803 3.462) 5.411 3.810 ( 6.723 4.111 3.447) 8.601 4.006 ( -6.465 0.998 5.732) 8.697 4.079 ( 19.316 7.682 2.700) 20.962 4.164 ( -4.834 3.963 -2.260) 6.647 4.231 ( -3.126 2.141 -3.912) 5.446 4.311 ( -3.612 3.752 -4.952) 7.186 4.397 ( -7.388 -2.239 6.048) 9.807 4.473 ( -0.581 2.286 -4.464) 5.049 4.608 ( 1.252 0.657 4.015) 4.256 4.671 ( -0.820 -1.115 0.620) 1.517 4.856 ( 4.418 -1.524 3.211) 5.670 4.909 ( -1.916 -1.419 2.817) 3.691 4.994 ( 2.037 -3.794 2.533) 4.996 5.041 ( 8.205 -5.293 1.370) 9.860 5.082 ( 5.352 1.262 3.805) 6.686 5.198 ( 3.157 -1.567 3.777) 5.166 5.284 ( 2.018 -2.992 -3.477) 5.012 5.327 ( 1.248 -1.248 1.289) 2.185 5.390 ( -0.762 0.429 -3.668) 3.771 5.443 ( -6.398 0.845 2.461) 6.907 5.611 ( -0.340 2.145 4.463) 4.963 5.630 ( -2.707 -2.533 1.878) 4.156 5.771 ( 2.098 6.387 -0.372) 6.733 5.945 ( -3.590 -4.163 0.613) 5.531 5.982 ( -0.773 -2.771 -0.697) 2.960 6.096 ( 4.481 -0.279 -1.069) 4.615 6.219 ( -2.697 1.907 -5.616) 6.516 6.281 ( -3.273 3.064 -3.793) 5.873 6.486 ( 0.044 -3.224 -3.481) 4.745 6.553 ( -6.049 -0.872 -3.815) 7.204 6.635 ( 0.424 -3.158 2.282) 3.919 6.755 ( 2.701 6.329 -4.066) 7.992 6.872 ( 0.762 -3.117 -4.033) 5.154 6.903 ( 4.065 4.759 -1.671) 6.478 7.044 ( 2.448 1.133 -0.907) 2.846 7.149 ( -2.611 0.491 2.979) 3.991 7.157 ( -3.149 -4.919 -1.335) 5.991 7.352 ( 7.546 2.638 -3.349) 8.667 7.439 ( 4.648 -0.021 -5.111) 6.909 7.538 ( 0.034 1.381 -1.577) 2.096 7.670 ( -5.526 0.155 1.229) 5.664 7.799 ( -2.138 -5.160 -1.953) 5.918 7.917 ( -1.799 2.969 0.409) 3.495 7.996 ( 0.737 1.403 -8.278) 8.429 8.033 ( -1.654 -2.701 -2.277) 3.901 8.213 ( -6.355 -4.812 0.985) 8.032 8.326 ( 0.389 -1.332 0.457) 1.461 8.382 ( -4.129 1.145 -3.040) 5.253 8.514 ( 1.241 -0.625 1.339) 1.930 8.564 ( 1.923 1.655 1.911) 3.176 8.665 ( 3.855 -5.540 1.983) 7.034 8.812 ( 2.121 -8.200 1.803) 8.660 8.953 ( 3.674 1.303 0.923) 4.006 9.117 ( 2.329 -0.094 -4.369) 4.952 9.256 ( -6.724 4.180 5.584) 9.689 9.468 ( 1.349 -2.678 6.552) 7.205 9.572 ( -3.449 4.387 -1.985) 5.923 9.726 ( -3.165 2.848 2.705) 5.044 9.941 ( 0.815 1.724 0.554) 1.986 9.978 ( 0.990 0.497 1.575) 1.926 10.000 ( 1.746 0.893 1.942) 2.760 10.161 ( 2.752 -2.306 -0.784) 3.676 13.424 ( 0.099 0.705 0.420) 0.826 13.465 ( 1.134 -0.319 0.149) 1.188 13.526 ( 3.012 -0.477 -0.630) 3.114 13.549 ( 3.567 -0.850 0.603) 3.716 14.145 ( 2.235 1.269 5.917) 6.451 14.288 ( -2.206 0.002 -0.304) 2.227 14.387 ( -0.705 -2.646 1.643) 3.194 14.438 ( 1.008 -2.276 1.465) 2.888 14.483 ( 0.303 -1.625 1.845) 2.477 14.575 ( -1.334 -2.124 0.874) 2.656 14.642 ( 3.313 2.144 -0.203) 3.951 14.685 ( 2.164 -0.365 -1.935) 2.926 14.924 ( 0.316 1.339 0.347) 1.419 15.094 ( -2.382 -1.411 -2.452) 3.699 15.180 ( -0.804 1.892 1.805) 2.736 15.231 ( -2.943 1.039 -2.691) 4.121 15.383 ( -6.424 -1.699 3.249) 7.397 15.540 ( -2.811 0.993 3.158) 4.343 15.610 ( -0.245 2.685 2.913) 3.970 15.684 ( -6.722 -3.510 1.074) 7.659 15.737 ( 4.703 1.235 -4.352) 6.525 15.907 ( -2.509 4.785 0.552) 5.431 16.003 ( -0.137 1.005 1.585) 1.882 16.115 ( -4.315 6.375 -1.880) 7.924 16.325 ( 6.808 -2.254 -1.571) 7.342 16.393 ( 4.164 2.865 -2.352) 5.575 16.441 ( 0.393 2.205 2.241) 3.169 16.521 ( -1.383 1.129 1.522) 2.346 17.079 ( -11.965 1.395 0.842) 12.075 17.281 ( -11.738 1.580 -12.432) 17.171 17.533 ( 10.123 -4.964 -0.994) 11.319 17.840 ( 7.640 -9.287 -0.406) 12.032 21.022 ( -0.268 4.603 -0.231) 4.616 21.072 ( -0.604 7.295 -1.312) 7.437 21.294 ( -4.374 -0.289 3.333) 5.507 21.402 ( -0.618 -1.653 1.005) 2.031 21.500 ( 1.558 1.996 -0.201) 2.540 21.567 ( 0.093 1.185 -0.207) 1.207 21.656 ( 5.453 0.475 0.343) 5.484 21.863 ( 7.096 -1.128 2.382) 7.569 22.230 ( -1.547 0.512 0.538) 1.716 22.300 ( -0.026 0.575 0.716) 0.919 22.404 ( 2.765 1.637 -0.201) 3.220 22.445 ( -1.846 1.461 -0.531) 2.413 22.574 ( 4.592 1.030 3.411) 5.812 22.782 ( -2.653 -1.683 0.653) 3.209 22.976 ( -1.872 -0.900 -3.249) 3.856 23.137 ( 4.991 -3.229 -3.494) 6.895 23.643 ( -3.665 -0.880 -1.447) 4.038 23.814 ( -6.052 -5.300 -5.906) 9.980 24.068 ( 2.939 -0.794 2.121) 3.710 24.101 ( 6.317 -0.910 -0.102) 6.383 24.220 ( -2.074 -0.718 2.294) 3.175 24.256 ( -2.503 -0.518 -0.235) 2.567 24.341 ( -0.818 0.921 0.528) 1.340 24.401 ( -0.492 -0.205 3.199) 3.243 24.404 ( 1.184 0.940 1.233) 1.951 24.438 ( 1.221 1.084 2.808) 3.249 24.511 ( 2.033 3.123 -0.175) 3.731 24.680 ( 5.325 -1.524 -0.144) 5.540 25.127 ( -1.761 1.119 0.712) 2.204 25.215 ( -1.722 -0.933 2.881) 3.484 25.394 ( -6.707 -0.725 -2.587) 7.225 25.458 ( -2.003 -2.980 -8.362) 9.101 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -8.127 22.206 4.760) 24.121 0.983 ( -17.167 15.329 12.480) 26.181 1.584 ( -18.653 14.757 12.100) 26.686 1.688 ( -6.100 5.152 -12.145) 14.534 1.830 ( -13.216 11.565 4.548) 18.142 2.027 ( 2.681 -3.701 -3.982) 6.062 2.089 ( 6.213 -1.628 8.618) 10.749 2.206 ( 5.473 0.498 -1.374) 5.665 2.278 ( -4.778 -6.131 6.967) 10.439 2.306 ( -2.812 1.660 -8.712) 9.304 2.385 ( 0.907 -1.254 -4.350) 4.617 2.508 ( -0.205 -6.675 1.030) 6.757 2.554 ( 1.538 -0.168 1.468) 2.132 2.625 ( 1.026 -2.550 -8.240) 8.686 2.707 ( 4.039 -1.085 4.773) 6.346 2.738 ( 1.883 2.228 -6.882) 7.475 2.781 ( 6.472 -5.257 -7.225) 11.033 2.870 ( 0.551 -3.766 -1.760) 4.193 2.907 ( 2.325 -5.109 0.733) 5.661 3.048 ( -1.666 3.088 2.163) 4.122 3.082 ( 0.910 -1.976 -3.354) 3.998 3.099 ( 0.659 2.738 -3.225) 4.281 3.220 ( 3.526 2.725 -1.601) 4.735 3.262 ( -3.699 0.247 -1.434) 3.974 3.383 ( -0.326 0.751 2.282) 2.424 3.426 ( -2.774 -5.879 -3.160) 7.228 3.543 ( 1.701 -2.149 1.214) 2.997 3.621 ( 0.533 -6.522 6.686) 9.355 3.663 ( 1.877 -0.231 8.233) 8.448 3.793 ( -3.135 -2.539 4.646) 6.153 3.884 ( 1.841 2.652 8.939) 9.504 3.996 ( 1.713 2.250 -0.374) 2.853 4.067 ( -1.475 -3.294 7.142) 8.003 4.102 ( -3.105 6.423 7.771) 10.549 4.237 ( -3.964 4.685 -6.821) 9.176 4.267 ( -1.180 8.136 -2.755) 8.670 4.435 ( 6.674 1.434 -4.082) 7.954 4.463 ( -1.665 0.358 -1.806) 2.482 4.614 ( 1.116 4.561 1.944) 5.082 4.733 ( 5.878 2.855 -0.594) 6.562 4.836 ( -3.784 -4.724 4.909) 7.793 4.926 ( 1.750 -4.027 5.850) 7.315 5.039 ( 2.467 -1.266 1.249) 3.041 5.117 ( 1.568 -7.331 3.111) 8.117 5.151 ( 0.777 1.832 -4.862) 5.253 5.238 ( -2.813 1.713 -2.434) 4.096 5.324 ( 1.647 -0.800 3.581) 4.022 5.366 ( 1.651 2.052 -0.889) 2.779 5.372 ( 1.397 2.022 5.056) 5.621 5.404 ( 2.892 4.708 -1.050) 5.624 5.618 ( 3.625 -2.043 4.272) 5.964 5.625 ( 1.250 2.261 -2.401) 3.527 5.782 ( -2.785 2.404 1.598) 4.011 5.920 ( 2.991 -4.293 4.940) 7.196 5.968 ( -0.763 0.859 -4.521) 4.665 6.127 ( -5.953 -2.344 -7.557) 9.902 6.173 ( -0.270 -2.645 1.560) 3.082 6.214 ( -2.251 1.323 0.696) 2.702 6.383 ( -3.736 1.034 -10.564) 11.253 6.561 ( 3.386 -0.809 -2.373) 4.213 6.647 ( 0.022 -5.136 -3.216) 6.060 6.732 ( -3.660 7.973 1.414) 8.886 6.907 ( -0.590 -10.343 1.735) 10.504 6.982 ( 3.410 4.146 -1.133) 5.486 7.078 ( 1.667 -3.481 -1.376) 4.098 7.157 ( 7.777 -0.427 -2.959) 8.332 7.178 ( 1.956 0.106 -0.960) 2.182 7.416 ( -1.441 0.865 1.387) 2.179 7.497 ( -2.689 0.420 -0.090) 2.723 7.537 ( 1.084 -3.950 -7.592) 8.626 7.557 ( -1.968 3.547 4.369) 5.962 7.770 ( -3.111 -3.167 -2.872) 5.288 7.854 ( -3.544 1.734 -3.470) 5.254 7.972 ( -1.016 -5.802 -6.805) 9.000 8.063 ( -0.512 -1.918 0.055) 1.986 8.107 ( 0.843 1.013 1.338) 1.878 8.301 ( -2.172 0.875 -4.902) 5.432 8.359 ( 1.497 1.910 0.486) 2.475 8.533 ( 0.608 -0.995 1.800) 2.145 8.577 ( -0.958 0.213 2.048) 2.271 8.750 ( 4.216 -2.597 1.067) 5.065 8.826 ( -0.824 -6.471 2.178) 6.877 9.030 ( 0.460 1.348 -2.492) 2.870 9.104 ( -6.666 2.372 2.200) 7.409 9.160 ( 3.426 0.375 0.255) 3.456 9.469 ( -1.868 -2.776 1.800) 3.799 9.517 ( -1.575 8.883 -3.574) 9.704 9.675 ( -2.342 4.934 -0.278) 5.468 9.900 ( -2.508 2.573 1.618) 3.940 9.979 ( 1.022 1.433 0.933) 1.992 10.112 ( 5.181 -1.765 4.136) 6.860 10.213 ( 2.378 -3.202 -0.363) 4.005 13.441 ( 1.402 1.246 1.132) 2.191 13.492 ( 1.387 0.602 -0.119) 1.517 13.596 ( 3.475 -1.293 -0.509) 3.743 13.612 ( 2.377 -1.680 0.728) 3.000 14.193 ( 1.920 -1.624 5.679) 6.211 14.245 ( -2.011 0.846 -0.316) 2.205 14.370 ( -0.865 -3.225 1.456) 3.642 14.479 ( 0.811 -2.528 3.861) 4.686 14.499 ( 1.910 -2.206 -0.103) 2.920 14.554 ( 2.245 -1.871 4.839) 5.652 14.724 ( 4.539 0.814 -0.141) 4.614 14.755 ( 4.664 -0.383 -2.238) 5.188 14.929 ( 0.084 -0.479 -0.182) 0.519 15.007 ( -5.671 -1.649 -0.334) 5.916 15.129 ( -4.003 0.200 -0.217) 4.013 15.209 ( -1.674 1.510 -1.161) 2.536 15.286 ( -0.346 2.319 1.379) 2.721 15.465 ( -2.971 3.256 6.399) 7.770 15.519 ( -7.595 0.070 4.990) 9.088 15.633 ( -0.976 -3.457 1.762) 4.001 15.794 ( 0.932 2.810 -2.562) 3.915 15.891 ( -1.002 -1.175 0.367) 1.587 16.022 ( 1.611 3.747 0.710) 4.140 16.052 ( 0.168 1.312 -5.125) 5.292 16.344 ( -8.920 -6.644 -2.896) 11.494 16.394 ( -1.022 0.911 0.409) 1.429 16.468 ( -1.352 -2.035 0.656) 2.530 16.517 ( 3.733 -1.417 0.577) 4.034 16.867 ( -8.090 10.893 -1.439) 13.644 17.110 ( -4.492 15.704 -13.912) 21.456 17.704 ( 6.792 -5.754 0.843) 8.942 17.964 ( 4.829 -9.889 0.782) 11.033 21.017 ( -0.253 4.250 -0.394) 4.275 21.069 ( 0.517 6.500 -2.316) 6.920 21.218 ( -2.992 -0.368 3.125) 4.341 21.398 ( 0.249 -2.359 -0.348) 2.398 21.535 ( 0.366 1.696 -0.318) 1.764 21.571 ( 2.007 8.222 -2.464) 8.815 21.771 ( 5.338 -0.338 1.618) 5.588 22.020 ( 8.582 -1.485 2.219) 8.988 22.194 ( -1.917 0.879 0.904) 2.294 22.298 ( -0.940 -1.362 -0.049) 1.656 22.383 ( -2.987 0.911 -1.290) 3.379 22.467 ( 2.404 2.332 -0.148) 3.352 22.657 ( 1.532 -0.653 -2.601) 3.088 22.778 ( 4.122 -3.271 5.650) 7.721 22.966 ( 2.148 1.991 -0.470) 2.966 23.213 ( 1.210 -4.944 -0.800) 5.152 23.578 ( -3.346 -4.293 -5.740) 7.910 23.682 ( -6.549 -4.749 -7.100) 10.764 24.107 ( -0.235 1.168 2.932) 3.165 24.173 ( -1.162 0.048 1.117) 1.613 24.195 ( 0.008 0.343 -0.512) 0.617 24.228 ( 2.607 -1.501 2.061) 3.646 24.313 ( -1.409 -0.250 0.307) 1.464 24.361 ( -2.443 -1.071 1.194) 2.923 24.422 ( 0.092 1.227 2.329) 2.634 24.482 ( 2.350 -0.369 5.427) 5.926 24.654 ( 12.559 5.159 1.716) 13.685 24.788 ( 5.241 -0.154 0.061) 5.244 25.092 ( -1.346 1.187 0.215) 1.807 25.161 ( -3.583 -0.698 1.815) 4.077 25.260 ( -6.386 -0.714 -2.060) 6.748 25.333 ( -11.272 -3.853 -9.025) 14.945 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.876 22.007 3.252) 22.263 1.236 ( 1.344 24.410 1.073) 24.471 1.511 ( -0.278 -12.496 -1.584) 12.599 1.662 ( 0.746 -11.561 0.126) 11.585 1.911 ( 1.680 10.910 -4.993) 12.115 2.067 ( 5.648 2.929 -4.666) 7.891 2.139 ( -6.547 -3.331 -1.513) 7.500 2.197 ( 1.397 -3.293 -0.472) 3.608 2.220 ( 1.549 1.245 1.858) 2.720 2.295 ( 1.231 1.457 -8.484) 8.696 2.326 ( 0.143 2.781 1.209) 3.036 2.431 ( -0.696 -5.357 -0.682) 5.445 2.556 ( -1.106 -0.500 -8.295) 8.383 2.639 ( -0.815 -5.352 -6.322) 8.323 2.688 ( 4.964 9.419 0.538) 10.661 2.798 ( 0.783 5.044 0.685) 5.150 2.808 ( 2.716 -1.287 -7.861) 8.417 2.868 ( -2.162 0.098 1.437) 2.598 2.940 ( -5.995 -1.723 1.428) 6.399 2.972 ( 5.399 3.495 5.049) 8.176 3.004 ( -7.360 -2.353 3.110) 8.329 3.142 ( -3.434 2.997 -3.523) 5.761 3.151 ( -5.519 -1.537 -2.791) 6.373 3.236 ( 1.435 -2.465 8.809) 9.259 3.341 ( 2.048 -3.737 10.846) 11.654 3.387 ( 0.602 -10.912 6.032) 12.483 3.473 ( 1.359 0.569 2.571) 2.963 3.547 ( -0.373 -6.023 5.803) 8.373 3.685 ( -0.319 2.682 3.980) 4.810 3.761 ( -1.702 -5.866 3.269) 6.928 3.854 ( 4.090 2.168 0.757) 4.691 3.897 ( 5.585 -1.417 0.392) 5.776 4.102 ( -4.329 7.009 6.634) 10.577 4.217 ( 1.079 -2.585 2.136) 3.523 4.322 ( -1.672 7.786 4.583) 9.188 4.435 ( 4.252 9.867 -3.626) 11.340 4.489 ( -5.462 -1.937 8.873) 10.598 4.583 ( 3.289 -5.692 2.251) 6.948 4.588 ( 3.741 5.277 2.922) 7.098 4.715 ( -2.699 0.523 1.993) 3.395 4.751 ( -4.078 -3.587 -0.191) 5.435 4.813 ( -0.771 -12.001 -2.596) 12.302 5.004 ( -0.265 6.121 1.160) 6.236 5.122 ( 1.754 -2.833 -0.005) 3.332 5.201 ( -0.017 0.745 -5.708) 5.757 5.219 ( -1.839 -0.061 -3.673) 4.108 5.358 ( -1.518 4.896 4.491) 6.815 5.451 ( 1.657 -1.823 0.325) 2.484 5.517 ( -0.397 5.928 -1.052) 6.034 5.550 ( 2.032 0.989 -0.355) 2.288 5.625 ( -3.152 2.614 5.060) 6.510 5.735 ( 1.163 0.802 0.176) 1.424 5.751 ( -2.021 0.843 1.293) 2.543 5.864 ( -4.566 0.913 -5.548) 7.243 5.954 ( 6.847 -2.672 -3.643) 8.203 6.026 ( 5.125 -4.379 -3.678) 7.679 6.152 ( -0.790 7.396 -5.256) 9.108 6.266 ( 2.601 -3.174 -5.137) 6.574 6.379 ( -2.647 -1.781 -7.422) 8.079 6.443 ( -1.556 -8.702 -7.567) 11.636 6.555 ( -0.604 4.819 0.508) 4.883 6.701 ( 0.915 -5.538 -0.284) 5.620 6.888 ( -2.255 11.337 -0.888) 11.593 7.009 ( -1.822 -1.051 -1.003) 2.330 7.092 ( -2.250 -1.840 1.134) 3.120 7.168 ( -1.690 -4.847 -1.454) 5.335 7.271 ( 4.658 -0.474 -0.127) 4.683 7.326 ( 5.408 -4.807 -1.530) 7.396 7.423 ( -3.388 1.841 2.351) 4.516 7.498 ( -1.556 -4.957 2.944) 5.971 7.633 ( -0.637 4.646 -1.151) 4.829 7.688 ( -0.613 -0.949 -1.538) 1.908 7.708 ( 0.976 -0.108 -3.976) 4.095 7.803 ( 0.827 -5.593 -1.045) 5.749 8.152 ( 2.767 0.279 -4.879) 5.616 8.161 ( 0.459 -0.475 -3.409) 3.472 8.362 ( 3.861 3.443 -2.228) 5.633 8.408 ( 0.819 -0.756 -0.836) 1.393 8.518 ( -0.913 0.524 3.046) 3.223 8.554 ( 0.902 -2.076 3.395) 4.080 8.713 ( -1.359 2.229 0.094) 2.613 8.787 ( 2.172 -4.042 0.055) 4.589 8.977 ( -5.330 1.442 2.424) 6.030 8.998 ( -6.237 0.066 1.957) 6.537 9.317 ( 2.552 3.133 -0.113) 4.043 9.383 ( 0.417 -3.048 -1.083) 3.262 9.672 ( 0.632 4.622 -1.486) 4.896 9.715 ( 0.886 0.253 -1.491) 1.753 9.995 ( 0.458 6.489 1.847) 6.762 10.028 ( -1.005 3.007 0.175) 3.176 10.100 ( -0.151 -2.982 2.111) 3.656 10.144 ( 0.463 -5.941 0.734) 6.004 13.501 ( -0.203 2.497 1.475) 2.907 13.530 ( 0.497 1.172 -0.239) 1.295 13.569 ( -1.503 -1.978 1.227) 2.770 13.595 ( 0.218 -2.768 -0.282) 2.791 14.200 ( -0.910 2.887 3.743) 4.813 14.256 ( 0.214 -0.027 0.415) 0.468 14.305 ( -0.036 -0.355 -0.473) 0.592 14.377 ( 0.063 -5.154 -0.313) 5.164 14.493 ( -0.521 0.702 4.155) 4.246 14.536 ( 0.575 -3.841 5.451) 6.693 14.823 ( 2.695 0.956 -0.622) 2.926 14.840 ( 2.965 -0.551 -1.376) 3.315 14.896 ( -1.392 0.135 0.030) 1.399 14.902 ( -0.894 -0.410 0.098) 0.989 15.114 ( 0.992 1.789 -0.976) 2.266 15.158 ( -0.146 -2.159 -1.336) 2.543 15.340 ( -3.140 2.673 5.077) 6.541 15.402 ( -3.064 -3.000 3.583) 5.588 15.496 ( 2.472 4.523 -0.402) 5.170 15.568 ( -1.383 -1.387 1.168) 2.281 15.877 ( 2.782 2.558 1.684) 4.137 15.884 ( 1.379 1.131 3.003) 3.493 16.076 ( -1.112 2.084 -5.013) 5.542 16.120 ( -3.813 -0.761 -2.683) 4.723 16.167 ( 3.750 0.932 -0.123) 3.866 16.254 ( -0.867 -4.963 -1.794) 5.348 16.451 ( -0.021 1.581 2.565) 3.013 16.507 ( 0.913 -3.578 1.117) 3.858 17.152 ( -0.726 16.994 -1.800) 17.105 17.370 ( 0.284 2.237 -8.886) 9.168 17.643 ( 1.099 -2.466 1.904) 3.304 17.784 ( 0.211 -10.814 -0.571) 10.831 21.101 ( -0.219 3.810 0.604) 3.864 21.150 ( 0.248 -0.773 0.588) 1.002 21.213 ( 0.813 4.367 0.343) 4.456 21.324 ( 1.070 -5.465 -0.269) 5.575 21.604 ( -0.295 4.660 1.872) 5.030 21.688 ( 0.914 -2.570 1.787) 3.261 21.902 ( -1.390 6.849 -5.336) 8.793 22.045 ( -4.007 -6.377 -2.527) 7.944 22.177 ( 0.475 1.655 0.730) 1.871 22.209 ( 1.903 -1.214 -0.678) 2.357 22.409 ( -0.927 3.470 -0.273) 3.602 22.489 ( -1.480 -3.096 -2.433) 4.206 22.657 ( 0.455 2.779 0.347) 2.837 22.740 ( 1.760 -4.879 1.620) 5.434 23.074 ( -4.233 0.947 1.657) 4.643 23.098 ( 3.444 -1.241 1.971) 4.158 23.484 ( -0.777 1.297 -9.152) 9.276 23.543 ( 0.836 -4.618 -8.986) 10.137 24.099 ( -3.498 2.691 1.000) 4.525 24.151 ( -2.236 -2.098 0.028) 3.067 24.222 ( 2.798 1.449 2.055) 3.762 24.265 ( 1.673 -2.476 1.052) 3.168 24.276 ( 0.506 1.456 0.839) 1.755 24.308 ( -0.200 -1.360 0.085) 1.378 24.456 ( -0.754 2.371 5.025) 5.607 24.492 ( 0.341 -1.226 5.821) 5.958 24.868 ( 0.147 0.787 0.329) 0.866 24.882 ( -0.385 -0.654 0.010) 0.759 25.087 ( -1.669 1.232 -0.822) 2.232 25.116 ( -3.061 -1.331 -1.473) 3.648 25.151 ( 3.916 1.065 -0.249) 4.066 25.170 ( 2.148 -0.767 -0.773) 2.409 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 13.659 18.922 4.698) 23.805 1.314 ( 6.616 22.815 1.705) 23.816 1.655 ( 12.477 -11.808 -3.037) 17.445 1.742 ( 6.455 -12.642 -6.244) 15.507 1.906 ( -0.676 5.412 -2.631) 6.056 1.999 ( -7.141 -4.955 1.866) 8.890 2.135 ( -0.084 10.098 -0.901) 10.138 2.251 ( -0.559 1.614 -5.047) 5.328 2.258 ( -1.085 2.888 0.696) 3.163 2.316 ( -5.367 -2.391 -6.155) 8.509 2.372 ( 8.020 -4.734 -3.571) 9.974 2.392 ( 6.795 -1.967 -0.490) 7.091 2.602 ( 1.783 -0.906 -8.137) 8.379 2.647 ( -3.533 -2.859 -2.110) 5.010 2.706 ( -3.464 6.104 7.946) 10.602 2.739 ( -4.276 0.088 -3.593) 5.586 2.767 ( -3.875 -1.987 -1.618) 4.645 2.794 ( 0.860 -3.779 -5.626) 6.831 2.877 ( -1.186 6.640 2.112) 7.068 3.006 ( 3.748 0.910 -2.440) 4.564 3.059 ( 4.614 7.655 4.674) 10.086 3.068 ( -1.714 2.922 -1.878) 3.873 3.154 ( 7.251 -3.186 -0.430) 7.932 3.256 ( -0.748 0.014 4.561) 4.622 3.337 ( -3.231 -3.340 7.303) 8.657 3.367 ( -1.612 -4.911 4.352) 6.757 3.507 ( -3.422 -3.657 6.250) 8.009 3.549 ( 6.143 -8.597 5.864) 12.084 3.651 ( -1.862 -0.919 5.163) 5.565 3.721 ( 0.826 -3.960 0.630) 4.094 3.865 ( -1.987 4.279 4.798) 6.729 3.957 ( -2.772 -1.772 4.807) 5.825 4.184 ( 10.560 8.571 2.867) 13.899 4.260 ( -3.615 5.912 8.248) 10.773 4.322 ( 6.967 -1.744 -1.049) 7.258 4.381 ( -4.599 -2.831 4.930) 7.312 4.465 ( -2.156 10.065 -6.332) 12.085 4.634 ( -3.948 -0.201 1.214) 4.135 4.645 ( -4.194 -0.281 -6.118) 7.422 4.675 ( 5.720 -0.016 5.771) 8.126 4.713 ( 4.280 -1.050 5.608) 7.133 4.812 ( -1.522 -8.941 -1.523) 9.197 4.922 ( -4.385 0.742 1.957) 4.859 5.029 ( -9.444 -6.653 -0.021) 11.552 5.201 ( -1.398 2.489 -3.061) 4.186 5.240 ( 1.076 -2.085 -2.209) 3.223 5.302 ( -2.380 6.968 3.221) 8.037 5.398 ( -5.982 0.191 3.239) 6.805 5.474 ( -1.615 0.619 2.589) 3.113 5.516 ( -4.678 0.344 1.249) 4.854 5.532 ( -4.961 1.926 -0.066) 5.322 5.656 ( -5.709 -6.906 0.393) 8.969 5.768 ( 1.302 6.466 -3.095) 7.286 5.915 ( 3.837 -4.711 -3.345) 6.935 6.036 ( 4.214 8.204 0.441) 9.233 6.168 ( 7.444 -1.748 -0.536) 7.666 6.183 ( 3.220 6.899 -5.748) 9.540 6.327 ( -1.467 -3.092 -6.631) 7.462 6.335 ( 3.760 -3.629 -7.037) 8.765 6.448 ( 3.427 -10.078 -5.921) 12.181 6.539 ( -1.034 7.293 0.208) 7.369 6.706 ( -1.021 -5.441 -2.418) 6.041 6.861 ( -0.136 11.379 -4.302) 12.166 6.961 ( -2.315 -1.240 -4.703) 5.386 7.024 ( -3.434 -1.173 1.396) 3.888 7.156 ( 0.469 -8.229 -1.551) 8.387 7.293 ( -4.396 0.013 1.844) 4.767 7.313 ( -1.948 -1.598 1.024) 2.720 7.452 ( 3.926 2.961 0.351) 4.930 7.537 ( 2.467 -5.759 0.087) 6.266 7.656 ( 2.999 2.670 0.309) 4.028 7.683 ( -0.817 -0.401 1.001) 1.352 7.798 ( 7.632 0.128 -3.508) 8.401 7.855 ( 4.900 -4.489 -5.047) 8.344 8.168 ( 0.389 0.765 -4.398) 4.481 8.194 ( 1.081 -2.024 -3.232) 3.964 8.379 ( -2.482 2.216 1.605) 3.695 8.414 ( 1.249 -1.011 -0.636) 1.728 8.527 ( 0.913 1.227 3.346) 3.679 8.572 ( -1.188 -2.330 5.438) 6.035 8.702 ( -0.246 3.464 0.924) 3.594 8.754 ( -7.748 -1.567 -1.177) 7.992 8.888 ( -1.853 0.983 0.360) 2.128 8.928 ( 2.505 -2.949 -3.264) 5.062 9.317 ( -1.708 4.215 3.180) 5.550 9.402 ( 0.445 -4.113 2.456) 4.811 9.692 ( 1.753 5.638 -1.840) 6.184 9.754 ( 2.336 -0.732 0.097) 2.450 9.987 ( -1.806 3.903 0.389) 4.318 10.004 ( -0.444 2.910 1.098) 3.141 10.075 ( -2.305 -1.376 2.185) 3.461 10.132 ( -1.292 -4.772 0.731) 4.997 13.475 ( -1.984 1.859 1.083) 2.927 13.519 ( -2.909 -0.087 0.742) 3.003 13.522 ( -1.464 -0.080 -0.447) 1.533 13.574 ( -2.181 -2.656 0.156) 3.441 14.185 ( -0.526 3.961 3.382) 5.235 14.269 ( 0.720 -3.057 0.907) 3.269 14.319 ( 1.761 2.203 -0.202) 2.827 14.397 ( 1.907 -4.485 -0.399) 4.890 14.464 ( -2.152 0.566 3.232) 3.924 14.505 ( -3.128 -3.634 3.547) 5.964 14.793 ( -3.487 1.733 0.139) 3.896 14.820 ( -3.805 -0.796 0.497) 3.919 14.945 ( 3.543 1.583 0.344) 3.895 14.969 ( 5.630 -0.429 -0.543) 5.673 15.158 ( 2.440 0.606 -1.081) 2.737 15.181 ( 2.204 -1.967 -1.286) 3.222 15.324 ( 2.146 2.654 1.542) 3.745 15.375 ( 1.424 -2.033 1.297) 2.800 15.545 ( 0.117 1.236 2.178) 2.507 15.567 ( 2.723 0.101 0.504) 2.771 15.949 ( 4.216 2.445 3.243) 5.854 15.965 ( 4.489 2.544 2.910) 5.924 16.050 ( -3.081 -0.007 -4.094) 5.124 16.064 ( 1.161 0.722 -3.347) 3.616 16.251 ( 3.937 1.838 -0.482) 4.372 16.324 ( 6.259 -3.554 -2.311) 7.559 16.457 ( 1.230 -0.226 2.592) 2.878 16.511 ( 0.165 -3.824 2.018) 4.327 17.130 ( -1.253 15.575 -2.271) 15.789 17.359 ( -0.984 -1.562 -7.549) 7.772 17.611 ( -4.189 -1.935 1.589) 4.880 17.734 ( -5.186 -9.404 -1.079) 10.794 21.111 ( 1.184 4.483 0.373) 4.652 21.177 ( 2.481 -1.592 0.643) 3.017 21.237 ( 1.508 4.893 0.879) 5.195 21.350 ( 1.430 -5.479 0.680) 5.703 21.584 ( -1.533 4.863 1.282) 5.257 21.683 ( -1.667 -4.155 2.397) 5.078 21.794 ( -8.103 5.375 -4.527) 10.726 21.871 ( -9.913 -2.040 -1.349) 10.210 22.230 ( 3.045 2.350 -0.217) 3.852 22.267 ( 2.608 -0.493 -1.234) 2.927 22.399 ( -0.417 1.085 -1.028) 1.552 22.457 ( -1.393 -3.589 -2.075) 4.373 22.652 ( -1.188 5.711 2.059) 6.186 22.768 ( 1.128 -5.083 1.331) 5.374 22.988 ( -3.176 5.073 -0.212) 5.989 23.101 ( -2.694 -5.392 -0.692) 6.067 23.538 ( 6.061 0.538 -6.451) 8.868 23.594 ( 4.289 -4.701 -6.267) 8.931 24.033 ( -3.240 3.031 1.752) 4.770 24.104 ( -2.847 -3.618 0.765) 4.667 24.251 ( 0.693 1.558 0.993) 1.973 24.276 ( 1.706 -0.190 -0.282) 1.740 24.328 ( 2.680 0.105 1.474) 3.060 24.346 ( 2.634 -1.008 0.238) 2.831 24.429 ( -1.757 3.480 4.404) 5.882 24.486 ( -1.095 -1.967 5.355) 5.809 24.736 ( -9.454 2.406 -0.006) 9.755 24.776 ( -7.756 -1.322 -0.326) 7.875 25.103 ( 2.116 0.276 0.019) 2.134 25.110 ( 2.278 -0.433 0.110) 2.322 25.269 ( 6.745 1.919 -1.933) 7.275 25.328 ( 9.088 -3.933 -2.302) 10.167 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 10.177 17.897 2.108) 20.696 1.557 ( 12.008 14.085 3.990) 18.934 1.821 ( -6.533 -4.008 -1.319) 7.777 1.831 ( -0.247 -7.309 -7.445) 10.436 1.883 ( 5.429 -1.817 -8.875) 10.561 1.932 ( 3.611 -2.191 -6.948) 8.131 2.080 ( -3.732 4.334 0.711) 5.764 2.186 ( -4.726 -2.240 -5.639) 7.691 2.234 ( 0.385 -2.386 -6.092) 6.554 2.288 ( 0.308 -5.720 0.349) 5.739 2.429 ( -1.959 2.374 -1.372) 3.370 2.463 ( -4.593 -3.391 -0.886) 5.777 2.505 ( -3.106 1.650 5.893) 6.863 2.550 ( -2.807 -2.253 8.791) 9.499 2.638 ( -4.101 0.044 -1.931) 4.533 2.718 ( 0.356 -3.662 3.009) 4.753 2.801 ( 8.353 0.432 -10.862) 13.710 2.852 ( 2.361 -0.718 -8.509) 8.860 2.988 ( 4.058 3.554 -3.870) 6.639 3.029 ( 1.485 2.133 -0.594) 2.666 3.094 ( 4.722 5.910 3.345) 8.271 3.172 ( -4.440 -1.293 2.035) 5.052 3.197 ( 4.349 6.456 2.298) 8.116 3.281 ( -0.107 -1.829 3.089) 3.591 3.324 ( 4.651 0.855 -0.365) 4.744 3.370 ( 7.027 0.279 3.582) 7.892 3.491 ( 3.715 3.642 5.771) 7.770 3.633 ( 3.074 4.987 3.448) 6.798 3.741 ( 0.371 -4.690 3.208) 5.694 3.783 ( 9.548 -12.874 7.078) 17.521 3.815 ( 1.015 3.540 3.980) 5.423 3.880 ( -4.939 -0.430 7.623) 9.094 4.153 ( -4.207 1.672 6.053) 7.559 4.268 ( -13.459 10.856 -0.009) 17.292 4.289 ( -5.314 -5.973 3.751) 8.831 4.394 ( 3.418 3.895 -1.724) 5.461 4.435 ( -0.779 2.366 -1.059) 2.707 4.542 ( -1.384 1.301 -1.348) 2.329 4.589 ( -1.327 -4.551 1.740) 5.049 4.691 ( -4.532 -1.403 2.931) 5.577 4.771 ( 0.430 0.932 0.962) 1.407 4.816 ( 4.656 -3.985 -1.240) 6.252 4.864 ( -2.828 -1.021 0.971) 3.159 4.933 ( 1.111 -4.078 3.112) 5.248 5.110 ( -5.741 4.141 1.940) 7.340 5.177 ( -7.410 -0.821 2.134) 7.755 5.259 ( -2.491 -1.033 0.705) 2.787 5.324 ( -3.510 -4.485 3.808) 6.851 5.431 ( -1.731 1.372 6.051) 6.442 5.461 ( -1.780 -1.356 -0.799) 2.376 5.498 ( 3.398 -0.439 -0.922) 3.548 5.580 ( -0.988 -6.097 0.681) 6.214 5.794 ( 1.414 6.792 -3.042) 7.576 5.922 ( -1.060 -3.694 -2.862) 4.792 6.105 ( -0.300 10.999 -3.101) 11.431 6.243 ( 1.112 1.325 -3.501) 3.905 6.264 ( 3.754 0.479 -1.697) 4.147 6.333 ( 3.088 -2.446 -2.831) 4.851 6.461 ( 8.410 -0.371 -6.368) 10.555 6.490 ( 0.225 7.804 -4.784) 9.156 6.580 ( 4.932 -9.827 -3.841) 11.647 6.646 ( -4.420 -5.054 -3.427) 7.538 6.872 ( 0.073 5.859 -4.619) 7.461 6.924 ( -1.696 -1.066 -6.492) 6.794 6.989 ( 0.413 3.409 -0.245) 3.443 7.135 ( -3.459 -6.447 0.961) 7.380 7.244 ( 0.832 1.697 0.803) 2.054 7.293 ( 0.559 -2.220 -0.992) 2.495 7.502 ( -1.460 4.039 0.079) 4.295 7.536 ( 0.637 2.098 -0.552) 2.261 7.652 ( -1.974 -1.227 -0.500) 2.377 7.727 ( 2.701 -6.275 1.835) 7.074 7.925 ( 5.539 1.896 -3.948) 7.061 7.983 ( 6.465 -2.835 -7.753) 10.486 8.171 ( -1.087 -0.711 -1.205) 1.772 8.184 ( -1.263 -0.842 -4.375) 4.631 8.345 ( -1.019 4.293 3.871) 5.869 8.429 ( 0.445 -3.999 0.443) 4.048 8.512 ( -4.338 1.340 5.353) 7.019 8.534 ( 0.238 0.957 4.492) 4.599 8.615 ( -3.596 -2.479 2.493) 5.029 8.623 ( -7.033 -3.519 0.522) 7.882 8.939 ( 5.183 2.723 -5.091) 7.759 8.989 ( 1.327 -1.779 -3.364) 4.030 9.309 ( 1.712 4.199 6.534) 7.954 9.407 ( 0.448 -5.192 6.392) 8.248 9.726 ( 1.048 4.005 -1.087) 4.281 9.768 ( -1.080 -0.271 1.473) 1.847 9.961 ( -0.678 2.276 0.496) 2.426 9.990 ( -1.398 -0.506 1.520) 2.126 10.040 ( -0.225 2.494 1.095) 2.733 10.105 ( -1.395 -3.255 -0.011) 3.542 13.441 ( -1.262 0.684 0.252) 1.457 13.461 ( -2.481 -1.063 0.211) 2.708 13.496 ( -1.062 1.102 -0.166) 1.540 13.526 ( -2.308 -1.565 0.250) 2.799 14.183 ( 0.185 4.696 3.063) 5.610 14.281 ( 0.603 -4.281 1.804) 4.685 14.360 ( 1.523 2.398 -1.178) 3.075 14.419 ( -0.712 -2.231 0.933) 2.521 14.443 ( -2.138 -2.031 1.567) 3.339 14.453 ( 1.755 -2.274 1.965) 3.480 14.724 ( -3.272 1.477 -0.251) 3.598 14.740 ( -3.865 0.060 0.582) 3.909 14.984 ( 0.644 3.358 1.158) 3.609 15.054 ( 2.450 -2.563 0.116) 3.548 15.195 ( 1.592 1.798 -1.979) 3.112 15.244 ( 3.794 -1.909 -2.697) 5.031 15.390 ( 3.446 1.959 0.536) 4.000 15.434 ( 2.845 -2.160 0.479) 3.604 15.566 ( 2.349 1.857 0.175) 2.999 15.620 ( 3.047 -3.259 0.624) 4.505 15.972 ( -2.321 3.116 3.220) 5.046 16.000 ( -0.570 0.992 -0.288) 1.180 16.044 ( 2.373 3.945 1.466) 4.831 16.117 ( 2.257 -1.245 -2.541) 3.620 16.296 ( 2.197 7.305 -0.953) 7.688 16.437 ( 3.761 -1.687 -1.771) 4.487 16.487 ( 1.996 0.781 2.342) 3.175 16.550 ( 2.570 -2.732 2.491) 4.502 17.125 ( 1.601 10.161 -2.630) 10.617 17.346 ( -0.274 -8.826 -4.110) 9.740 17.506 ( -5.349 -0.303 -0.547) 5.386 17.598 ( -8.230 -7.188 -2.007) 11.110 21.139 ( 1.302 6.075 0.443) 6.228 21.236 ( 2.852 -0.491 -0.266) 2.906 21.270 ( 2.013 3.222 2.120) 4.351 21.372 ( 0.690 -4.823 1.948) 5.247 21.547 ( -2.618 2.843 0.445) 3.891 21.584 ( -6.855 0.105 1.202) 6.960 21.700 ( -1.182 0.415 -1.146) 1.698 21.715 ( -5.277 -0.698 -1.293) 5.477 22.269 ( 0.838 2.114 -1.574) 2.765 22.303 ( 1.173 -0.229 -1.011) 1.565 22.385 ( -0.558 1.534 -1.561) 2.259 22.444 ( 0.075 -3.460 -1.298) 3.696 22.626 ( -1.115 7.989 3.530) 8.805 22.782 ( 0.091 -6.146 1.535) 6.335 22.962 ( -0.019 2.766 -2.188) 3.527 23.042 ( -2.534 -4.368 -2.495) 5.633 23.673 ( 6.534 -0.326 -2.898) 7.155 23.703 ( 6.805 -2.966 -3.480) 8.199 23.974 ( -2.604 1.882 0.629) 3.274 24.035 ( -4.272 -3.665 0.217) 5.633 24.263 ( -0.011 2.187 2.008) 2.969 24.306 ( 0.776 -1.584 0.868) 1.967 24.365 ( -0.031 1.685 0.875) 1.899 24.370 ( 0.814 0.660 0.629) 1.222 24.421 ( 1.096 1.313 1.703) 2.413 24.459 ( -1.166 -1.726 3.748) 4.288 24.585 ( -5.299 2.227 0.006) 5.748 24.632 ( -6.221 -2.224 -0.530) 6.628 25.148 ( 2.055 0.734 0.880) 2.353 25.164 ( 2.644 -0.772 1.255) 3.026 25.384 ( 4.616 2.288 -3.379) 6.161 25.450 ( 3.376 -4.167 -3.356) 6.326 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -11.481 10.737 -3.409) 16.084 1.652 ( 0.336 4.988 3.210) 5.941 1.729 ( 6.975 8.767 -6.948) 13.183 1.858 ( -0.665 0.977 -10.636) 10.701 1.938 ( 2.578 -1.440 -1.339) 3.242 2.003 ( -0.012 -0.837 -0.907) 1.235 2.044 ( 0.299 -1.847 -2.364) 3.015 2.095 ( -1.375 -2.162 -6.558) 7.041 2.216 ( -3.371 -5.039 -3.866) 7.190 2.270 ( -0.115 -7.000 -4.817) 8.498 2.374 ( 1.750 3.350 1.214) 3.969 2.441 ( 0.797 0.943 4.770) 4.927 2.484 ( 0.106 3.023 0.721) 3.109 2.573 ( 0.228 -3.670 2.481) 4.436 2.612 ( 4.518 -4.381 10.029) 11.840 2.692 ( -3.446 -8.226 5.435) 10.444 2.908 ( 3.965 1.898 -9.727) 10.674 2.927 ( 0.785 0.595 -10.875) 10.920 2.971 ( -0.815 5.096 -7.906) 9.441 3.024 ( -4.361 0.142 -7.394) 8.585 3.083 ( -0.782 -1.858 3.885) 4.377 3.087 ( -0.480 -2.785 3.818) 4.750 3.311 ( -2.820 2.873 0.767) 4.098 3.333 ( 3.130 0.915 1.953) 3.802 3.393 ( 8.500 3.761 4.900) 10.507 3.451 ( -2.917 -2.474 4.673) 6.039 3.619 ( -5.562 2.332 1.409) 6.193 3.630 ( -6.564 1.307 2.968) 7.321 3.778 ( -3.384 9.614 3.468) 10.766 3.796 ( -0.246 6.235 6.695) 9.152 3.811 ( 18.427 15.117 2.144) 23.931 3.913 ( -9.341 9.303 5.757) 14.386 4.087 ( 2.344 -3.805 8.056) 9.213 4.164 ( 7.595 -11.424 3.885) 14.258 4.236 ( -11.154 -13.133 2.279) 17.381 4.247 ( 3.707 -10.929 4.655) 12.444 4.458 ( 2.221 8.012 -2.874) 8.797 4.569 ( 1.981 -2.052 -1.185) 3.089 4.591 ( -1.992 0.343 3.537) 4.074 4.610 ( -2.220 1.851 -0.909) 3.030 4.796 ( -1.124 1.219 -0.669) 1.788 4.835 ( 1.107 2.745 1.449) 3.296 4.892 ( -0.236 -5.476 -0.848) 5.547 4.941 ( 2.248 -3.524 3.499) 5.452 5.031 ( -1.977 3.513 4.006) 5.683 5.091 ( 1.612 -0.755 5.221) 5.517 5.228 ( -0.042 -0.680 -0.061) 0.684 5.253 ( -3.012 -3.815 2.508) 5.470 5.410 ( -2.479 -1.466 3.086) 4.221 5.458 ( 3.732 -6.157 2.517) 7.627 5.570 ( 1.790 0.730 0.453) 1.985 5.619 ( 3.545 -1.693 -1.040) 4.064 5.811 ( 0.166 4.052 -2.663) 4.851 5.895 ( -1.786 -2.972 -1.086) 3.633 6.078 ( -1.498 9.570 -6.281) 11.544 6.196 ( -2.974 1.249 -4.271) 5.352 6.310 ( -2.079 2.587 -3.191) 4.604 6.355 ( -0.810 -1.992 -1.134) 2.431 6.499 ( -0.373 3.709 -5.328) 6.503 6.560 ( -2.466 -4.493 -2.508) 5.706 6.615 ( 4.075 1.435 -4.913) 6.542 6.674 ( 5.594 -2.396 -7.739) 9.845 6.844 ( -1.434 0.623 -2.924) 3.316 6.899 ( -0.829 -3.911 -5.556) 6.845 7.030 ( 2.601 1.501 0.712) 3.087 7.078 ( -1.608 -2.896 0.676) 3.381 7.270 ( 1.126 4.528 3.045) 5.572 7.342 ( 3.088 -1.704 -1.229) 3.735 7.431 ( -2.681 6.956 -1.317) 7.571 7.566 ( 1.506 0.037 -3.305) 3.632 7.624 ( -0.568 -1.413 -1.916) 2.448 7.743 ( -0.887 -7.444 1.153) 7.585 8.013 ( 2.506 3.677 -4.686) 6.462 8.047 ( -0.482 0.156 -7.936) 7.952 8.071 ( -6.820 2.642 1.276) 7.425 8.184 ( -0.290 -6.466 -4.036) 7.628 8.324 ( -1.322 5.459 4.739) 7.349 8.446 ( 1.788 -2.660 1.353) 3.479 8.453 ( -3.895 -4.429 0.951) 5.974 8.489 ( -1.489 -3.854 2.464) 4.810 8.568 ( 2.862 2.763 3.205) 5.109 8.626 ( 2.881 -3.411 5.540) 7.116 8.980 ( -0.755 2.182 -2.079) 3.107 9.025 ( 3.150 -1.874 -4.852) 6.081 9.357 ( 1.617 2.693 6.939) 7.617 9.415 ( -0.346 -2.956 7.736) 8.289 9.710 ( -2.178 2.820 -0.355) 3.581 9.753 ( 0.016 -1.426 0.940) 1.708 9.957 ( 0.653 3.038 1.714) 3.549 9.977 ( 0.374 1.076 1.871) 2.190 10.045 ( -0.650 0.650 -0.381) 0.995 10.084 ( -0.239 -2.413 -0.649) 2.510 13.430 ( -0.176 -0.221 -0.039) 0.285 13.433 ( 0.054 -0.476 -0.038) 0.480 13.492 ( 0.716 0.338 0.228) 0.824 13.500 ( -0.006 -0.425 0.108) 0.439 14.190 ( 0.388 4.687 3.082) 5.623 14.287 ( -0.286 -3.908 1.928) 4.367 14.358 ( -0.814 0.215 -1.400) 1.633 14.391 ( -1.440 -2.911 -0.255) 3.258 14.451 ( 1.829 1.345 3.178) 3.906 14.497 ( 1.998 -2.916 1.962) 4.043 14.674 ( -1.604 1.151 -0.961) 2.196 14.685 ( -1.573 0.144 -0.680) 1.720 14.983 ( -0.573 3.643 0.883) 3.792 15.067 ( -0.758 -4.147 0.161) 4.219 15.225 ( 1.383 3.882 -2.206) 4.674 15.288 ( 0.156 -1.203 -2.421) 2.708 15.436 ( -0.204 -0.635 1.762) 1.885 15.451 ( 0.509 -1.586 0.140) 1.672 15.623 ( 2.703 0.860 -2.391) 3.710 15.671 ( 0.791 -3.724 -1.245) 4.006 15.895 ( -4.375 7.174 4.148) 9.370 15.994 ( -1.210 -1.800 2.239) 3.117 16.067 ( 0.369 4.011 1.008) 4.152 16.148 ( 3.060 -3.235 -1.282) 4.634 16.352 ( 1.343 8.843 0.223) 8.947 16.450 ( -1.219 2.634 -2.178) 3.628 16.527 ( 0.733 1.759 1.389) 2.358 16.551 ( -2.490 0.190 1.733) 3.040 17.200 ( 4.251 2.680 -0.535) 5.054 17.305 ( -2.300 -6.324 -2.149) 7.064 17.441 ( -6.644 -1.970 -3.796) 7.901 17.492 ( 4.230 -7.015 -2.493) 8.562 21.151 ( -0.085 6.980 0.901) 7.038 21.253 ( -1.335 4.517 -1.134) 4.845 21.304 ( 0.328 -2.659 2.796) 3.873 21.373 ( -1.376 -3.234 0.964) 3.644 21.497 ( -0.748 0.619 0.398) 1.049 21.511 ( 0.343 -0.624 1.864) 1.995 21.669 ( 0.642 2.667 -1.287) 3.030 21.723 ( 3.101 -2.172 -0.019) 3.786 22.269 ( -0.558 1.591 -1.475) 2.240 22.304 ( -0.800 -1.360 -2.083) 2.614 22.401 ( 2.101 2.849 -0.520) 3.578 22.456 ( 0.966 -2.347 -1.456) 2.926 22.615 ( -0.064 7.563 4.001) 8.556 22.767 ( -1.689 -6.024 1.486) 6.431 22.970 ( 0.563 0.779 -2.791) 2.952 23.017 ( 0.225 -2.956 -2.355) 3.786 23.731 ( -1.649 2.314 -0.458) 2.878 23.802 ( -0.144 -4.173 -3.073) 5.184 23.969 ( 3.221 -0.952 -0.762) 3.445 23.975 ( 1.087 -1.509 -0.653) 1.971 24.249 ( -1.074 1.255 2.976) 3.404 24.279 ( -2.788 -1.570 2.536) 4.083 24.372 ( 0.854 1.855 -0.701) 2.159 24.390 ( 1.292 0.411 -1.187) 1.802 24.441 ( 0.426 0.638 1.682) 1.848 24.444 ( -1.139 0.242 2.328) 2.603 24.538 ( -0.696 0.520 0.694) 1.112 24.562 ( 0.659 -1.866 0.355) 2.011 25.172 ( 0.217 1.303 1.374) 1.906 25.199 ( 0.712 -1.260 2.075) 2.530 25.436 ( 0.633 0.480 -4.528) 4.597 25.462 ( -1.848 -1.983 -3.516) 4.439 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -10.414 18.605 -3.870) 21.670 1.558 ( -10.149 5.439 7.172) 13.565 1.772 ( -2.915 -1.496 -15.212) 15.560 1.855 ( 0.973 3.602 -1.430) 3.996 1.893 ( -6.741 -6.552 -1.097) 9.465 1.974 ( -0.444 -4.942 -4.498) 6.697 2.088 ( 4.417 5.132 -0.135) 6.773 2.162 ( 0.561 0.199 -5.749) 5.780 2.204 ( 4.642 -4.489 -8.501) 10.676 2.260 ( 0.173 -5.885 4.103) 7.176 2.436 ( 0.031 1.839 0.386) 1.879 2.484 ( 0.797 1.205 1.611) 2.163 2.513 ( 1.400 -0.447 -0.330) 1.506 2.557 ( 5.465 -1.225 4.673) 7.294 2.666 ( -1.676 -4.719 0.761) 5.065 2.696 ( 3.468 -5.106 -0.964) 6.247 2.852 ( -4.719 5.813 -6.478) 9.901 2.907 ( -5.354 0.672 -5.985) 8.058 2.951 ( -3.450 6.164 0.406) 7.075 2.988 ( 1.233 0.029 -2.568) 2.849 3.081 ( 0.655 3.723 -0.964) 3.901 3.125 ( 1.224 1.393 -0.148) 1.860 3.232 ( 0.339 2.682 5.809) 6.407 3.313 ( -4.648 2.272 1.874) 5.503 3.365 ( -0.888 -1.719 1.021) 2.188 3.450 ( -5.521 -3.086 6.040) 8.746 3.497 ( -3.086 1.566 1.026) 3.609 3.544 ( -3.350 -0.596 -1.212) 3.612 3.650 ( -2.775 2.463 8.419) 9.200 3.751 ( -3.259 -3.899 6.599) 8.329 3.874 ( -0.897 0.229 5.826) 5.899 3.936 ( -5.490 -8.002 6.630) 11.753 4.164 ( 2.936 4.957 8.999) 10.685 4.261 ( 15.018 7.747 -0.282) 16.900 4.285 ( 3.248 -0.988 2.435) 4.177 4.398 ( 5.349 2.389 -2.617) 6.416 4.436 ( -7.092 4.777 1.139) 8.627 4.518 ( 0.459 4.006 -1.433) 4.279 4.584 ( 0.956 -3.048 0.065) 3.195 4.656 ( 1.894 -2.172 1.319) 3.169 4.784 ( 3.114 -6.984 -2.903) 8.179 4.834 ( -0.324 -7.598 -0.060) 7.605 4.894 ( 2.390 3.586 3.741) 5.707 4.989 ( 0.179 -1.140 4.156) 4.313 5.099 ( 6.776 1.108 5.384) 8.725 5.162 ( 4.539 -3.345 5.242) 7.699 5.248 ( 3.889 0.601 -2.149) 4.483 5.273 ( 4.282 -0.685 -0.338) 4.350 5.389 ( 0.833 2.616 3.735) 4.636 5.518 ( -0.349 -5.896 -0.221) 5.910 5.585 ( 1.167 2.965 1.699) 3.611 5.637 ( -0.870 -0.119 3.000) 3.126 5.814 ( 0.261 0.130 -0.622) 0.687 5.863 ( -0.472 -4.106 -3.753) 5.583 6.028 ( -4.127 9.908 -3.667) 11.342 6.145 ( -2.643 0.341 -4.159) 4.940 6.257 ( -2.853 1.014 -6.906) 7.540 6.301 ( -3.064 -3.327 -4.659) 6.493 6.469 ( -2.509 3.468 -7.741) 8.846 6.517 ( -2.150 -2.425 -4.698) 5.707 6.594 ( -2.938 1.420 -1.110) 3.447 6.736 ( -2.419 -8.095 -2.753) 8.886 6.880 ( 6.815 3.958 -2.494) 8.267 6.948 ( 5.580 -1.398 -5.362) 7.864 7.037 ( -2.950 -0.808 0.594) 3.116 7.062 ( 0.759 -0.696 -0.612) 1.198 7.254 ( -2.716 6.252 3.550) 7.685 7.377 ( 0.529 -4.211 1.686) 4.567 7.464 ( 4.558 6.655 -4.844) 9.409 7.596 ( 0.120 2.113 -0.060) 2.117 7.629 ( 1.792 -5.015 -3.279) 6.255 7.693 ( -4.001 -3.974 2.215) 6.059 7.893 ( -8.008 -0.982 -2.537) 8.458 7.965 ( -6.377 -2.419 -5.596) 8.823 8.086 ( 2.261 4.491 -5.201) 7.234 8.154 ( -1.979 -1.963 0.041) 2.788 8.316 ( 0.201 0.818 0.805) 1.165 8.368 ( -2.700 -2.629 0.282) 3.779 8.492 ( 2.435 -0.144 2.671) 3.617 8.538 ( 2.967 -3.754 2.938) 5.615 8.644 ( 4.527 2.613 1.955) 5.581 8.694 ( 3.319 -2.945 3.239) 5.494 8.989 ( 2.156 2.563 -2.587) 4.232 9.062 ( 0.618 -4.001 -4.932) 6.380 9.337 ( -3.325 3.432 7.880) 9.216 9.404 ( -0.500 -3.217 8.426) 9.033 9.679 ( -0.871 4.905 -1.743) 5.278 9.746 ( -1.060 -1.242 -0.139) 1.639 9.995 ( 2.126 1.065 2.003) 3.109 10.002 ( 1.922 2.618 1.278) 3.490 10.013 ( -0.879 1.340 0.431) 1.660 10.094 ( 0.896 -4.033 -0.363) 4.148 13.442 ( 1.502 0.885 0.087) 1.745 13.456 ( 2.018 -0.514 0.176) 2.090 13.518 ( 2.164 -0.073 0.164) 2.171 13.529 ( 2.327 -0.964 0.437) 2.556 14.200 ( 0.597 3.856 3.732) 5.399 14.275 ( -0.692 -2.224 1.699) 2.883 14.340 ( -1.215 -0.528 -1.156) 1.758 14.375 ( -0.278 -3.345 -0.306) 3.370 14.478 ( 0.701 1.078 3.740) 3.955 14.517 ( -0.151 -2.629 2.929) 3.939 14.679 ( 2.415 1.047 -1.476) 3.018 14.686 ( 1.906 0.188 -1.779) 2.614 14.966 ( -1.235 2.726 0.265) 3.004 15.033 ( -2.662 -3.608 -0.413) 4.503 15.231 ( -2.077 2.283 0.322) 3.104 15.257 ( -2.141 0.289 -1.988) 2.936 15.382 ( -3.154 2.433 0.367) 4.001 15.470 ( -0.036 -4.984 -1.109) 5.106 15.630 ( -3.061 -1.157 1.410) 3.563 15.633 ( -2.870 -1.004 1.794) 3.530 15.848 ( -0.089 7.401 -0.178) 7.404 15.964 ( -1.656 -3.029 0.865) 3.559 16.066 ( -0.705 7.707 0.168) 7.741 16.224 ( 2.306 -5.877 -0.325) 6.321 16.298 ( -5.046 8.625 -0.374) 10.000 16.427 ( -1.875 -0.929 -1.243) 2.434 16.475 ( -3.469 0.620 1.277) 3.748 16.502 ( -3.688 -2.840 2.009) 5.070 17.179 ( -2.357 8.227 -1.886) 8.764 17.340 ( -0.368 -1.635 -5.627) 5.871 17.424 ( 7.468 0.788 -1.217) 7.607 17.610 ( 6.824 -11.829 -0.790) 13.679 21.140 ( -0.902 6.329 0.782) 6.441 21.204 ( -2.809 3.795 -0.977) 4.821 21.272 ( -3.323 -1.381 2.445) 4.350 21.328 ( -1.671 -4.752 0.493) 5.062 21.535 ( 3.409 1.934 0.234) 3.927 21.574 ( 4.309 -1.367 1.524) 4.771 21.723 ( 4.813 5.364 -1.434) 7.349 21.819 ( 6.588 -3.401 0.901) 7.469 22.249 ( -1.487 1.357 -0.810) 2.170 22.285 ( -1.121 -1.775 -1.925) 2.848 22.450 ( 2.255 2.154 -1.649) 3.528 22.470 ( 0.430 0.447 -1.303) 1.443 22.627 ( 1.290 4.134 3.502) 5.569 22.723 ( -2.464 -4.264 1.638) 5.189 22.978 ( 0.688 1.829 -1.885) 2.716 23.051 ( 2.928 -4.556 -2.113) 5.814 23.641 ( -6.027 1.279 -2.883) 6.803 23.704 ( -6.808 -4.611 -4.292) 9.275 24.059 ( 4.953 0.105 1.320) 5.127 24.075 ( 6.149 -1.278 0.455) 6.296 24.220 ( -1.953 0.676 1.754) 2.710 24.239 ( -1.512 -0.985 0.811) 1.978 24.367 ( -1.740 1.435 0.361) 2.285 24.392 ( -2.017 -0.838 1.245) 2.514 24.431 ( 0.955 1.339 2.528) 3.016 24.449 ( 0.825 -0.226 2.928) 3.051 24.578 ( 5.302 3.139 -0.322) 6.170 24.637 ( 5.971 -2.559 -0.216) 6.500 25.156 ( -1.688 1.582 1.350) 2.678 25.189 ( -1.708 -1.496 2.152) 3.128 25.384 ( -5.665 0.039 -3.366) 6.589 25.403 ( -4.243 -1.884 -5.047) 6.857 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -4.751 23.531 -0.772) 24.019 1.329 ( -11.371 15.680 6.897) 20.561 1.646 ( -10.316 -8.294 -4.553) 13.998 1.722 ( -6.049 -12.877 -4.557) 14.939 1.891 ( -0.964 5.414 -4.374) 7.027 1.960 ( 3.141 -2.195 -2.390) 4.516 2.144 ( 2.569 1.734 1.256) 3.344 2.211 ( 4.207 -1.490 -2.731) 5.232 2.245 ( -0.749 4.786 -4.084) 6.337 2.308 ( 1.277 -2.555 -3.897) 4.831 2.371 ( -8.165 -1.408 -5.786) 10.106 2.429 ( -2.719 -5.227 -0.154) 5.894 2.567 ( 2.068 0.507 -2.524) 3.302 2.622 ( 3.356 -3.581 0.057) 4.908 2.643 ( -1.373 9.312 -0.295) 9.418 2.769 ( 0.693 -3.323 0.763) 3.479 2.800 ( 0.330 2.793 -5.983) 6.611 2.846 ( 2.696 1.494 -2.484) 3.959 2.866 ( 0.481 10.190 5.828) 11.748 3.025 ( -0.208 0.571 0.289) 0.673 3.131 ( -2.499 -2.628 -0.812) 3.716 3.178 ( 3.315 3.961 2.077) 5.567 3.189 ( -0.611 0.223 0.654) 0.922 3.287 ( -6.444 -5.620 3.688) 9.312 3.317 ( -2.078 -0.272 1.711) 2.706 3.362 ( 0.215 -5.406 7.339) 9.117 3.465 ( -0.382 -0.743 2.325) 2.470 3.521 ( 2.752 -4.084 -0.095) 4.926 3.650 ( 1.539 -2.083 6.148) 6.671 3.721 ( 2.227 -8.027 12.330) 14.880 3.816 ( -3.809 1.123 3.002) 4.978 3.901 ( -0.558 -4.309 3.366) 5.497 4.219 ( -2.698 9.650 2.519) 10.331 4.258 ( -5.861 5.376 6.796) 10.462 4.318 ( 1.114 3.095 -1.389) 3.571 4.358 ( 2.126 0.191 0.225) 2.146 4.512 ( 2.604 3.573 -1.205) 4.583 4.537 ( 0.988 6.140 1.249) 6.343 4.606 ( -2.031 -4.247 1.884) 5.070 4.714 ( 3.351 -4.674 0.717) 5.796 4.789 ( 0.427 -1.219 -0.074) 1.293 4.861 ( -2.251 -4.066 3.059) 5.564 4.940 ( 2.563 1.541 2.862) 4.140 5.026 ( 6.349 -3.814 0.089) 7.407 5.199 ( 1.858 2.538 -1.606) 3.532 5.258 ( 1.025 -3.244 1.537) 3.733 5.328 ( 4.052 3.572 0.647) 5.441 5.376 ( 5.270 -0.424 -2.234) 5.739 5.452 ( 5.067 4.309 1.541) 6.828 5.497 ( 1.029 0.272 0.668) 1.257 5.591 ( 2.423 4.047 4.589) 6.581 5.690 ( 3.833 -2.117 1.764) 4.721 5.820 ( -0.184 0.583 1.825) 1.925 5.862 ( -0.714 -0.883 -3.505) 3.684 5.956 ( -0.624 3.142 -5.748) 6.580 6.039 ( -8.168 -4.106 -4.548) 10.211 6.198 ( -2.960 2.155 -5.569) 6.665 6.257 ( -1.317 -2.977 -6.323) 7.112 6.420 ( -1.907 4.600 -9.868) 11.054 6.474 ( -1.769 -3.561 -5.918) 7.130 6.566 ( -0.320 -1.255 -1.255) 1.804 6.693 ( -0.813 -8.899 2.013) 9.160 6.945 ( -3.260 10.240 0.718) 10.771 7.015 ( 2.310 0.009 -1.961) 3.030 7.050 ( 4.462 0.109 -2.449) 5.091 7.127 ( 7.044 -3.213 -2.179) 8.043 7.206 ( -1.699 3.008 0.281) 3.467 7.331 ( -4.376 -8.434 3.582) 10.154 7.513 ( -3.782 2.013 -1.286) 4.473 7.546 ( -2.366 3.311 1.594) 4.371 7.630 ( 1.014 1.377 0.123) 1.715 7.690 ( 0.973 -3.248 0.675) 3.457 7.765 ( -5.197 -3.650 -6.221) 8.890 7.839 ( -5.091 -5.699 -3.853) 8.559 8.110 ( 1.085 3.128 -4.195) 5.344 8.148 ( 1.025 0.612 -1.575) 1.976 8.312 ( 0.504 1.767 -2.015) 2.727 8.367 ( 1.990 -1.814 0.152) 2.697 8.527 ( 0.762 0.997 2.545) 2.837 8.562 ( -0.568 -1.672 3.195) 3.651 8.723 ( 1.918 -0.287 0.526) 2.010 8.738 ( 2.062 -1.974 0.935) 3.004 9.030 ( -0.417 0.472 -1.451) 1.582 9.064 ( 0.447 -2.529 0.073) 2.569 9.281 ( -1.123 6.433 3.867) 7.589 9.394 ( -0.823 -4.547 3.318) 5.689 9.667 ( -0.287 4.899 -1.964) 5.285 9.721 ( -1.120 -0.417 -0.885) 1.487 9.987 ( -0.144 5.891 0.637) 5.927 10.026 ( 1.030 2.603 1.152) 3.027 10.074 ( 2.924 -1.982 2.693) 4.442 10.118 ( 1.562 -5.856 0.009) 6.061 13.480 ( 1.977 2.092 0.673) 2.956 13.502 ( 2.271 0.165 0.325) 2.300 13.565 ( 2.023 -1.224 0.550) 2.428 13.571 ( 1.708 -1.802 0.264) 2.497 14.209 ( 0.076 2.859 4.105) 5.003 14.262 ( -0.653 -0.384 1.083) 1.322 14.315 ( -1.028 -0.568 -0.968) 1.522 14.378 ( 0.278 -5.337 -0.111) 5.345 14.487 ( 0.572 0.432 3.834) 3.901 14.512 ( 0.350 -1.853 4.549) 4.924 14.747 ( 4.062 1.026 -1.318) 4.392 14.757 ( 4.790 0.111 -1.573) 5.043 14.935 ( -1.877 0.958 -0.124) 2.111 14.966 ( -4.041 -1.964 -0.376) 4.509 15.153 ( -4.290 1.920 -0.426) 4.719 15.197 ( -3.672 -1.945 -0.367) 4.171 15.365 ( 0.839 4.287 0.458) 4.393 15.442 ( -2.263 -3.212 1.575) 4.233 15.537 ( -5.032 1.870 4.205) 6.819 15.597 ( -1.527 -2.751 1.559) 3.511 15.860 ( 0.475 4.174 -1.813) 4.576 15.908 ( -3.511 0.829 1.761) 4.014 16.070 ( 1.486 3.296 -3.166) 4.805 16.164 ( -4.364 3.981 0.204) 5.911 16.215 ( -5.277 -2.921 -1.240) 6.158 16.343 ( -6.201 -6.320 -2.025) 9.082 16.447 ( -0.085 0.702 3.101) 3.180 16.474 ( 1.767 -1.884 1.085) 2.802 17.159 ( -0.188 15.107 -2.013) 15.242 17.352 ( 1.434 3.558 -8.464) 9.292 17.569 ( 6.180 -2.524 1.274) 6.796 17.730 ( 4.970 -11.868 -0.325) 12.871 21.118 ( -1.316 4.597 0.728) 4.837 21.163 ( -1.382 1.497 -0.497) 2.097 21.217 ( -1.598 1.883 1.467) 2.872 21.313 ( -0.054 -5.415 -0.103) 5.416 21.590 ( 1.782 3.267 1.105) 3.882 21.648 ( 3.050 -1.496 1.579) 3.746 21.841 ( 6.271 6.901 -3.334) 9.903 21.966 ( 7.787 -4.312 0.221) 8.903 22.211 ( -2.204 0.958 0.306) 2.423 22.248 ( -3.102 -2.666 -2.056) 4.578 22.440 ( -1.923 4.001 -1.602) 4.719 22.498 ( 1.003 -0.456 -1.490) 1.853 22.650 ( 0.323 0.791 -0.146) 0.867 22.703 ( 1.245 -3.739 3.386) 5.196 23.015 ( 3.538 3.230 0.260) 4.798 23.103 ( 1.404 -5.077 -0.289) 5.276 23.536 ( -4.067 0.416 -6.738) 7.881 23.585 ( -4.747 -4.023 -6.787) 9.207 24.137 ( 1.990 1.672 2.199) 3.405 24.171 ( 1.951 -1.173 2.323) 3.252 24.190 ( 0.375 0.172 -0.728) 0.837 24.204 ( -1.056 -0.860 0.593) 1.486 24.320 ( -2.794 0.913 0.567) 2.993 24.341 ( -2.630 -1.015 0.817) 2.935 24.453 ( 0.838 1.432 4.259) 4.571 24.474 ( 1.324 -0.572 5.395) 5.585 24.734 ( 10.095 2.742 -0.135) 10.462 24.774 ( 7.443 -1.250 -0.263) 7.552 25.119 ( -1.660 1.254 0.678) 2.188 25.143 ( -2.619 -1.058 1.234) 3.082 25.252 ( -7.333 0.194 -2.527) 7.759 25.273 ( -8.620 -1.911 -3.977) 9.684 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -2.947 0.000 18.839) 19.068 1.108 ( -4.916 0.000 14.432) 15.246 1.244 ( 6.523 0.000 -8.038) 10.352 1.524 ( 2.009 0.000 5.215) 5.588 1.835 ( -1.808 0.000 12.501) 12.631 1.993 ( -1.295 0.000 -0.554) 1.408 2.024 ( 1.043 0.000 6.291) 6.377 2.206 ( 2.041 0.000 -9.674) 9.887 2.281 ( -1.406 0.000 -13.799) 13.871 2.437 ( 2.957 0.000 -5.864) 6.567 2.460 ( -3.702 0.000 15.091) 15.539 2.564 ( 8.416 0.000 -1.494) 8.548 2.617 ( 2.611 0.000 9.959) 10.295 2.707 ( 1.982 0.000 2.716) 3.362 2.723 ( -4.503 0.000 -9.042) 10.101 2.793 ( -1.535 0.000 -3.966) 4.252 2.857 ( 1.385 0.000 -2.512) 2.869 2.899 ( -5.247 0.000 -3.576) 6.350 2.924 ( 3.967 0.000 4.544) 6.032 2.962 ( -2.756 0.000 0.301) 2.772 2.993 ( -3.178 0.000 3.168) 4.487 3.036 ( -2.358 0.000 -4.436) 5.023 3.065 ( 0.294 0.000 -4.295) 4.305 3.182 ( -2.024 0.000 -13.079) 13.235 3.256 ( 3.143 0.000 4.598) 5.569 3.383 ( -0.511 0.000 -5.748) 5.771 3.565 ( 0.032 0.000 6.836) 6.836 3.679 ( 0.118 0.000 -1.564) 1.568 3.763 ( -3.405 0.000 -1.467) 3.708 3.837 ( 1.166 0.000 -0.114) 1.171 3.890 ( -0.029 0.000 -2.230) 2.230 3.929 ( 1.173 0.000 -6.748) 6.849 4.019 ( -1.078 0.000 11.412) 11.462 4.260 ( -1.099 0.000 6.384) 6.478 4.289 ( -0.314 0.000 -0.927) 0.979 4.325 ( 4.476 0.000 -1.381) 4.685 4.546 ( 3.149 0.000 15.813) 16.123 4.596 ( -2.982 0.000 7.029) 7.635 4.605 ( 5.291 0.000 8.248) 9.799 4.718 ( 0.782 0.000 0.857) 1.160 4.735 ( -5.472 0.000 -6.214) 8.280 4.848 ( -2.699 0.000 -12.024) 12.323 4.999 ( -2.265 0.000 -4.962) 5.455 5.041 ( 4.278 0.000 -7.335) 8.491 5.269 ( 0.771 0.000 5.832) 5.883 5.293 ( 0.170 0.000 3.164) 3.169 5.317 ( 1.567 0.000 -1.754) 2.352 5.439 ( -4.503 0.000 6.134) 7.610 5.452 ( 3.538 0.000 -6.306) 7.231 5.508 ( 4.683 0.000 -0.865) 4.762 5.594 ( -0.197 0.000 7.772) 7.774 5.653 ( -2.984 0.000 0.323) 3.001 5.782 ( -4.438 0.000 -2.185) 4.947 5.844 ( 3.913 0.000 -0.328) 3.927 5.981 ( 2.327 0.000 -0.060) 2.327 6.020 ( 3.226 0.000 -2.513) 4.089 6.060 ( -1.454 0.000 -6.881) 7.033 6.117 ( -8.013 0.000 -4.149) 9.023 6.457 ( 1.777 0.000 -0.310) 1.804 6.477 ( -0.732 0.000 -0.201) 0.759 6.612 ( -1.782 0.000 6.002) 6.261 6.794 ( 2.625 0.000 -8.305) 8.710 6.969 ( -2.970 0.000 5.285) 6.063 7.019 ( -7.199 0.000 9.064) 11.575 7.117 ( 6.974 0.000 -5.719) 9.019 7.226 ( 3.703 0.000 -4.020) 5.465 7.307 ( 1.536 0.000 0.062) 1.537 7.343 ( -7.417 0.000 -1.215) 7.516 7.445 ( 2.765 0.000 -0.885) 2.903 7.469 ( 2.254 0.000 1.068) 2.494 7.657 ( 0.407 0.000 1.943) 1.985 7.703 ( 2.652 0.000 0.531) 2.704 7.735 ( -0.577 0.000 -2.896) 2.953 7.832 ( 2.142 0.000 -9.874) 10.104 8.166 ( -2.063 0.000 2.533) 3.266 8.208 ( -2.367 0.000 0.971) 2.558 8.249 ( 6.082 0.000 2.994) 6.779 8.303 ( -1.933 0.000 -0.162) 1.940 8.572 ( 1.344 0.000 0.773) 1.551 8.583 ( -0.839 0.000 0.206) 0.864 8.837 ( -3.840 0.000 -0.564) 3.881 8.860 ( 3.117 0.000 -2.419) 3.945 8.908 ( -5.899 0.000 3.532) 6.876 8.965 ( 1.931 0.000 -1.408) 2.390 9.262 ( -4.930 0.000 4.670) 6.791 9.375 ( 1.062 0.000 -5.026) 5.137 9.408 ( 4.764 0.000 2.984) 5.621 9.474 ( -0.912 0.000 -2.326) 2.498 9.949 ( 0.712 0.000 3.314) 3.389 9.988 ( -0.775 0.000 -0.583) 0.970 10.244 ( 0.247 0.000 1.165) 1.191 10.263 ( -0.252 0.000 -0.569) 0.622 13.457 ( 0.358 0.000 0.207) 0.414 13.470 ( -0.227 0.000 -0.922) 0.950 13.655 ( -1.793 0.000 0.264) 1.813 13.659 ( 1.590 0.000 -0.143) 1.597 14.208 ( -0.763 0.000 0.697) 1.033 14.232 ( 0.340 0.000 -1.368) 1.410 14.468 ( 0.512 0.000 2.035) 2.099 14.497 ( -1.475 0.000 -0.872) 1.714 14.585 ( -0.437 0.000 5.367) 5.385 14.703 ( -1.111 0.000 -4.890) 5.014 14.802 ( 3.533 0.000 -0.117) 3.535 14.804 ( 1.066 0.000 -0.213) 1.088 14.906 ( -3.963 0.000 -0.251) 3.970 14.908 ( 0.818 0.000 -0.916) 1.228 15.119 ( -2.507 0.000 2.502) 3.542 15.185 ( 3.546 0.000 -3.369) 4.891 15.366 ( 6.305 0.000 2.666) 6.845 15.427 ( -4.506 0.000 -2.288) 5.053 15.661 ( -10.336 0.000 10.997) 15.092 15.690 ( -0.468 0.000 2.797) 2.835 15.757 ( -0.221 0.000 -0.551) 0.594 15.942 ( 4.259 0.000 -11.318) 12.093 15.960 ( 0.894 0.000 3.901) 4.002 15.985 ( -0.284 0.000 1.274) 1.305 16.301 ( 7.328 0.000 -1.760) 7.536 16.319 ( -4.635 0.000 -3.317) 5.699 16.439 ( 8.590 0.000 3.807) 9.396 16.529 ( -6.055 0.000 -4.081) 7.302 16.670 ( -1.137 0.000 1.103) 1.584 16.670 ( 2.326 0.000 1.266) 2.648 17.926 ( 2.318 0.000 4.732) 5.269 18.043 ( -2.416 0.000 -5.678) 6.170 20.948 ( 0.179 0.000 0.341) 0.385 20.960 ( -0.138 0.000 -0.734) 0.747 21.288 ( -0.455 0.000 5.208) 5.228 21.392 ( 1.058 0.000 -3.695) 3.843 21.473 ( -0.084 0.000 0.769) 0.774 21.491 ( 0.442 0.000 -1.093) 1.179 21.948 ( 1.208 0.000 6.206) 6.323 22.100 ( -5.553 0.000 -7.161) 9.062 22.147 ( 1.632 0.000 1.418) 2.162 22.171 ( -0.460 0.000 0.199) 0.501 22.438 ( 0.022 0.000 -0.037) 0.043 22.467 ( 1.675 0.000 -1.240) 2.084 22.624 ( 0.192 0.000 4.455) 4.459 22.773 ( -0.701 0.000 -7.527) 7.560 23.149 ( -1.233 0.000 5.164) 5.309 23.240 ( -1.316 0.000 -3.086) 3.355 23.501 ( -3.286 0.000 3.115) 4.527 23.591 ( 4.692 0.000 -5.269) 7.056 24.105 ( -2.334 0.000 3.592) 4.284 24.164 ( 0.985 0.000 -1.779) 2.034 24.251 ( 1.759 0.000 2.561) 3.107 24.273 ( -2.446 0.000 0.621) 2.523 24.336 ( -2.180 0.000 -0.068) 2.181 24.350 ( 3.248 0.000 -1.327) 3.509 24.426 ( -3.006 0.000 2.795) 4.104 24.491 ( 2.189 0.000 -2.894) 3.629 24.860 ( 0.266 0.000 1.351) 1.377 24.888 ( -2.462 0.000 -1.172) 2.726 25.069 ( -0.402 0.000 0.499) 0.641 25.089 ( 6.353 0.000 -1.008) 6.432 25.121 ( -2.275 0.000 0.829) 2.421 25.149 ( 0.377 0.000 -1.936) 1.972 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.775 0.000 16.889) 19.033 1.092 ( 2.773 0.000 10.253) 10.621 1.459 ( 12.236 0.000 -6.506) 13.858 1.669 ( 7.704 0.000 -8.087) 11.169 1.894 ( 6.342 0.000 10.204) 12.014 1.971 ( 0.447 0.000 2.342) 2.384 2.131 ( 10.450 0.000 9.827) 14.345 2.229 ( 1.294 0.000 -8.121) 8.224 2.250 ( 0.708 0.000 -7.788) 7.820 2.372 ( -8.661 0.000 2.226) 8.942 2.412 ( -5.798 0.000 -4.565) 7.379 2.598 ( -2.136 0.000 -3.819) 4.375 2.647 ( 2.696 0.000 11.845) 12.148 2.655 ( -7.041 0.000 -1.074) 7.123 2.703 ( -6.037 0.000 2.425) 6.506 2.773 ( -7.270 0.000 6.147) 9.520 2.778 ( -3.219 0.000 -1.526) 3.562 2.806 ( 0.402 0.000 -4.688) 4.705 2.893 ( -1.769 0.000 -3.166) 3.627 2.955 ( 1.050 0.000 4.817) 4.930 2.976 ( -0.712 0.000 -10.411) 10.436 3.048 ( -2.590 0.000 -1.167) 2.841 3.102 ( 9.509 0.000 1.336) 9.602 3.103 ( 2.469 0.000 -5.445) 5.978 3.295 ( -4.463 0.000 1.377) 4.670 3.400 ( 4.291 0.000 -4.423) 6.162 3.613 ( 2.123 0.000 4.332) 4.824 3.692 ( 0.651 0.000 -1.246) 1.406 3.752 ( 2.725 0.000 -4.060) 4.889 3.839 ( -0.626 0.000 1.260) 1.407 3.869 ( -2.625 0.000 1.313) 2.935 3.967 ( 3.612 0.000 -7.166) 8.024 4.004 ( 0.302 0.000 10.998) 11.002 4.233 ( -3.109 0.000 2.234) 3.828 4.279 ( -1.199 0.000 2.538) 2.806 4.333 ( -3.866 0.000 -0.351) 3.882 4.580 ( 2.523 0.000 0.893) 2.676 4.591 ( 1.056 0.000 9.693) 9.750 4.635 ( -3.752 0.000 -11.272) 11.880 4.670 ( -2.234 0.000 13.513) 13.696 4.766 ( 5.049 0.000 7.314) 8.888 4.852 ( 2.311 0.000 -10.314) 10.569 4.924 ( -2.531 0.000 -6.217) 6.713 5.130 ( 4.245 0.000 -6.619) 7.863 5.224 ( -5.665 0.000 6.676) 8.756 5.300 ( -0.277 0.000 1.919) 1.938 5.301 ( -3.855 0.000 -2.179) 4.428 5.430 ( 3.926 0.000 0.836) 4.014 5.464 ( -4.641 0.000 4.956) 6.790 5.546 ( 1.282 0.000 -5.604) 5.749 5.570 ( -1.088 0.000 7.758) 7.834 5.644 ( 0.995 0.000 -4.236) 4.351 5.795 ( 3.233 0.000 -5.195) 6.119 5.870 ( -4.358 0.000 4.062) 5.958 5.933 ( -3.227 0.000 -0.035) 3.227 6.024 ( 6.896 0.000 -2.357) 7.288 6.116 ( 4.864 0.000 -4.422) 6.574 6.160 ( 7.070 0.000 1.033) 7.145 6.472 ( -0.128 0.000 -3.040) 3.043 6.490 ( 2.050 0.000 2.012) 2.873 6.546 ( -5.014 0.000 4.914) 7.021 6.787 ( -1.817 0.000 -8.152) 8.352 6.875 ( -5.665 0.000 1.414) 5.839 6.888 ( -5.647 0.000 11.523) 12.832 7.138 ( -8.239 0.000 -2.145) 8.513 7.244 ( -2.491 0.000 -4.975) 5.564 7.246 ( 2.226 0.000 -5.562) 5.991 7.302 ( -1.128 0.000 3.059) 3.260 7.453 ( -3.640 0.000 9.288) 9.976 7.498 ( 2.335 0.000 -7.427) 7.786 7.684 ( 1.447 0.000 -6.974) 7.122 7.791 ( 5.311 0.000 -1.139) 5.432 7.808 ( 4.740 0.000 -4.487) 6.527 7.869 ( 2.263 0.000 -7.641) 7.969 8.055 ( -6.702 0.000 2.566) 7.177 8.154 ( -2.400 0.000 4.291) 4.917 8.344 ( 4.599 0.000 -0.043) 4.599 8.370 ( 5.294 0.000 0.179) 5.297 8.540 ( -3.142 0.000 -1.604) 3.528 8.617 ( 3.039 0.000 -0.600) 3.098 8.787 ( -1.878 0.000 -0.151) 1.884 8.836 ( -0.550 0.000 5.399) 5.427 8.905 ( -0.342 0.000 -2.065) 2.093 8.963 ( -1.778 0.000 4.990) 5.297 9.267 ( 6.001 0.000 -2.559) 6.524 9.312 ( -0.807 0.000 3.670) 3.758 9.542 ( 6.741 0.000 0.645) 6.771 9.642 ( 11.669 0.000 -2.579) 11.951 9.945 ( -1.253 0.000 3.322) 3.550 9.955 ( -2.347 0.000 -0.479) 2.395 10.206 ( -3.944 0.000 1.837) 4.350 10.224 ( -3.508 0.000 -1.059) 3.664 13.456 ( -0.286 0.000 0.383) 0.477 13.457 ( -1.023 0.000 -0.913) 1.371 13.588 ( -4.536 0.000 0.184) 4.540 13.646 ( -2.766 0.000 0.242) 2.776 14.221 ( 2.082 0.000 -0.175) 2.089 14.226 ( -0.911 0.000 1.656) 1.890 14.479 ( -0.346 0.000 -0.668) 0.753 14.484 ( 0.856 0.000 3.897) 3.990 14.560 ( -1.401 0.000 3.648) 3.908 14.651 ( -2.722 0.000 -2.719) 3.848 14.734 ( -7.779 0.000 -0.813) 7.822 14.811 ( -3.511 0.000 -2.432) 4.271 14.894 ( 2.572 0.000 -0.452) 2.611 14.936 ( 1.974 0.000 1.951) 2.775 15.133 ( 3.067 0.000 0.856) 3.184 15.242 ( 1.626 0.000 -2.631) 3.093 15.416 ( 4.146 0.000 -2.720) 4.959 15.456 ( -5.611 0.000 10.447) 11.859 15.506 ( 6.444 0.000 3.697) 7.429 15.673 ( 0.424 0.000 2.809) 2.841 15.805 ( 2.906 0.000 1.552) 3.295 15.923 ( -4.301 0.000 -10.197) 11.067 15.985 ( -0.623 0.000 1.098) 1.262 15.988 ( 1.754 0.000 2.881) 3.373 16.298 ( -4.479 0.000 0.898) 4.568 16.304 ( -0.801 0.000 -0.009) 0.801 16.465 ( 1.720 0.000 -6.166) 6.401 16.602 ( -1.854 0.000 -0.419) 1.900 16.757 ( 6.858 0.000 -0.189) 6.861 16.875 ( 24.038 0.000 -6.236) 24.834 17.904 ( -4.633 0.000 5.124) 6.908 17.923 ( -9.482 0.000 -5.820) 11.125 20.956 ( 0.599 0.000 0.265) 0.655 20.961 ( 0.288 0.000 -0.697) 0.755 21.312 ( 2.725 0.000 4.938) 5.640 21.434 ( 2.580 0.000 -3.538) 4.379 21.468 ( -0.304 0.000 0.209) 0.369 21.501 ( 1.160 0.000 -1.759) 2.107 21.895 ( -5.852 0.000 6.034) 8.406 21.919 ( -10.042 0.000 -0.624) 10.061 22.203 ( 2.935 0.000 1.834) 3.461 22.210 ( 2.640 0.000 -0.843) 2.771 22.417 ( -2.038 0.000 -0.555) 2.113 22.472 ( -0.820 0.000 -3.727) 3.817 22.647 ( 1.398 0.000 7.229) 7.363 22.782 ( 1.731 0.000 -7.729) 7.921 22.998 ( -8.811 0.000 8.911) 12.531 23.159 ( -5.527 0.000 -4.299) 7.002 23.574 ( 6.973 0.000 -0.695) 7.008 23.698 ( 4.911 0.000 -3.500) 6.031 24.076 ( -1.286 0.000 4.777) 4.947 24.192 ( -0.604 0.000 -0.752) 0.964 24.221 ( -1.067 0.000 0.201) 1.085 24.258 ( -0.378 0.000 1.687) 1.729 24.331 ( 1.275 0.000 -1.140) 1.710 24.354 ( -3.589 0.000 2.425) 4.332 24.401 ( 2.061 0.000 0.168) 2.068 24.509 ( 0.147 0.000 -1.837) 1.843 24.750 ( -7.533 0.000 3.358) 8.248 24.773 ( -7.140 0.000 -1.157) 7.233 25.105 ( 3.477 0.000 1.260) 3.698 25.156 ( 4.230 0.000 2.270) 4.801 25.158 ( 3.255 0.000 -3.630) 4.875 25.329 ( 9.969 0.000 -6.428) 11.862 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 13.865 0.000 7.037) 15.549 1.188 ( 5.954 0.000 -0.078) 5.955 1.623 ( 5.162 0.000 -2.969) 5.954 1.678 ( -7.097 0.000 -1.037) 7.173 1.989 ( 3.324 0.000 -4.867) 5.894 2.023 ( 1.763 0.000 2.135) 2.769 2.171 ( -5.814 0.000 -3.517) 6.795 2.195 ( -5.581 0.000 2.148) 5.980 2.225 ( -9.244 0.000 -2.369) 9.542 2.313 ( 7.649 0.000 -6.497) 10.036 2.452 ( -7.892 0.000 3.092) 8.476 2.510 ( 10.200 0.000 2.493) 10.501 2.541 ( -4.033 0.000 -1.416) 4.274 2.622 ( 0.152 0.000 1.335) 1.343 2.662 ( -0.774 0.000 3.395) 3.483 2.675 ( -0.469 0.000 8.634) 8.647 2.707 ( -6.134 0.000 -3.941) 7.291 2.812 ( 4.302 0.000 -7.573) 8.710 2.866 ( 1.576 0.000 7.072) 7.245 3.000 ( 0.769 0.000 -5.900) 5.950 3.039 ( 6.149 0.000 5.251) 8.086 3.093 ( 5.115 0.000 -0.443) 5.134 3.208 ( -0.782 0.000 2.048) 2.192 3.239 ( 12.204 0.000 -7.625) 14.390 3.277 ( 3.874 0.000 2.555) 4.641 3.414 ( -0.861 0.000 -4.940) 5.014 3.633 ( -0.858 0.000 7.687) 7.735 3.676 ( -3.197 0.000 -4.061) 5.169 3.766 ( -6.480 0.000 5.877) 8.748 3.821 ( 3.127 0.000 -7.833) 8.434 3.840 ( -1.103 0.000 3.655) 3.817 4.013 ( -0.370 0.000 5.787) 5.799 4.084 ( 7.908 0.000 -7.218) 10.707 4.156 ( -9.813 0.000 5.776) 11.387 4.158 ( -4.330 0.000 3.913) 5.836 4.279 ( -2.482 0.000 -7.220) 7.635 4.484 ( -7.916 0.000 12.423) 14.731 4.605 ( 1.060 0.000 -14.339) 14.378 4.639 ( -0.496 0.000 9.017) 9.030 4.676 ( 6.142 0.000 0.234) 6.146 4.872 ( 4.618 0.000 10.301) 11.289 4.903 ( 2.879 0.000 -10.600) 10.984 4.947 ( 2.270 0.000 -1.004) 2.482 5.116 ( -4.133 0.000 6.553) 7.747 5.165 ( -1.977 0.000 -1.417) 2.432 5.194 ( -5.588 0.000 2.753) 6.229 5.292 ( -0.173 0.000 0.426) 0.460 5.382 ( -3.459 0.000 7.507) 8.265 5.460 ( 0.714 0.000 -2.140) 2.256 5.473 ( -6.503 0.000 -3.994) 7.631 5.643 ( -0.347 0.000 -11.859) 11.864 5.647 ( 6.506 0.000 1.588) 6.697 5.747 ( -6.770 0.000 2.847) 7.344 5.837 ( 1.614 0.000 0.420) 1.668 6.008 ( 7.124 0.000 -0.222) 7.127 6.157 ( 4.322 0.000 -2.520) 5.003 6.231 ( 6.636 0.000 2.279) 7.016 6.274 ( 2.437 0.000 5.281) 5.816 6.433 ( -3.844 0.000 3.092) 4.933 6.490 ( 2.979 0.000 -7.239) 7.828 6.547 ( 1.500 0.000 4.897) 5.122 6.782 ( 0.299 0.000 -6.964) 6.970 6.803 ( -1.149 0.000 8.310) 8.389 6.809 ( 0.503 0.000 -3.927) 3.959 6.972 ( -7.700 0.000 -2.362) 8.054 7.128 ( -8.562 0.000 -0.667) 8.588 7.269 ( -2.640 0.000 0.737) 2.741 7.282 ( 0.981 0.000 -6.146) 6.224 7.369 ( -4.449 0.000 10.999) 11.864 7.522 ( -0.012 0.000 -11.069) 11.069 7.710 ( 1.466 0.000 -4.477) 4.711 7.820 ( -2.703 0.000 -5.323) 5.970 7.864 ( -0.764 0.000 -0.501) 0.914 7.868 ( 1.786 0.000 -2.428) 3.014 8.067 ( 6.238 0.000 -5.570) 8.363 8.105 ( -3.127 0.000 7.151) 7.805 8.432 ( 3.905 0.000 -0.355) 3.921 8.443 ( 1.929 0.000 0.677) 2.044 8.505 ( 0.195 0.000 -2.206) 2.214 8.639 ( -2.238 0.000 -2.283) 3.196 8.755 ( -0.042 0.000 0.651) 0.653 8.838 ( -3.417 0.000 3.172) 4.662 8.884 ( 3.655 0.000 5.253) 6.399 8.968 ( 0.952 0.000 0.339) 1.011 9.340 ( 2.893 0.000 5.125) 5.885 9.410 ( 6.846 0.000 -4.077) 7.968 9.689 ( 7.287 0.000 1.269) 7.397 9.792 ( 0.855 0.000 2.348) 2.499 9.914 ( -1.242 0.000 0.991) 1.589 9.932 ( 2.537 0.000 -0.436) 2.574 10.105 ( -6.162 0.000 3.080) 6.889 10.142 ( -4.432 0.000 -2.475) 5.076 13.439 ( -0.487 0.000 -0.701) 0.853 13.458 ( 0.807 0.000 0.560) 0.982 13.501 ( -3.980 0.000 0.049) 3.980 13.572 ( -4.170 0.000 0.186) 4.174 14.213 ( -0.226 0.000 4.706) 4.712 14.273 ( 2.555 0.000 -1.210) 2.827 14.477 ( -0.062 0.000 -0.838) 0.840 14.493 ( 0.265 0.000 5.534) 5.540 14.559 ( 1.184 0.000 1.449) 1.871 14.581 ( -6.876 0.000 -1.276) 6.993 14.613 ( -1.291 0.000 -2.494) 2.808 14.715 ( -5.018 0.000 -1.383) 5.205 14.946 ( 2.383 0.000 -1.878) 3.034 14.949 ( -0.593 0.000 2.638) 2.704 15.209 ( 4.104 0.000 -0.359) 4.119 15.281 ( 1.589 0.000 -2.511) 2.971 15.414 ( 1.600 0.000 5.757) 5.976 15.547 ( 6.293 0.000 1.360) 6.439 15.548 ( -1.145 0.000 4.282) 4.432 15.771 ( 6.891 0.000 -0.593) 6.916 15.843 ( -2.421 0.000 -7.419) 7.804 15.874 ( 4.860 0.000 -1.202) 5.007 15.969 ( -0.875 0.000 1.531) 1.764 16.035 ( 2.940 0.000 1.332) 3.228 16.173 ( -8.203 0.000 1.167) 8.286 16.213 ( -6.032 0.000 1.633) 6.249 16.530 ( 2.108 0.000 -4.023) 4.542 16.542 ( -3.549 0.000 1.770) 3.966 16.971 ( 14.679 0.000 0.228) 14.681 17.307 ( 19.566 0.000 -9.422) 21.716 17.690 ( -13.993 0.000 -6.025) 15.235 17.755 ( -10.512 0.000 5.174) 11.716 20.967 ( 0.432 0.000 0.153) 0.458 20.969 ( 0.477 0.000 -0.576) 0.749 21.385 ( 3.899 0.000 5.044) 6.375 21.454 ( -0.199 0.000 -0.993) 1.013 21.470 ( 1.196 0.000 -0.767) 1.421 21.565 ( 4.730 0.000 -3.230) 5.727 21.744 ( -7.268 0.000 -0.155) 7.269 21.757 ( -7.852 0.000 5.546) 9.613 22.250 ( 1.722 0.000 -0.167) 1.730 22.259 ( 2.458 0.000 2.697) 3.649 22.370 ( -2.375 0.000 -0.794) 2.504 22.447 ( -1.478 0.000 -4.379) 4.622 22.661 ( -0.048 0.000 10.869) 10.869 22.831 ( 3.186 0.000 -7.827) 8.450 22.896 ( -2.332 0.000 5.099) 5.607 23.054 ( -4.785 0.000 -5.843) 7.552 23.707 ( 6.425 0.000 -2.639) 6.946 23.761 ( 1.460 0.000 -0.070) 1.461 24.045 ( -1.404 0.000 2.639) 2.989 24.107 ( -5.066 0.000 1.086) 5.181 24.258 ( 2.222 0.000 -0.422) 2.261 24.268 ( 1.223 0.000 -0.096) 1.227 24.304 ( -1.446 0.000 1.517) 2.096 24.344 ( -0.419 0.000 -1.203) 1.274 24.437 ( 1.680 0.000 1.679) 2.375 24.518 ( 1.146 0.000 -0.930) 1.476 24.626 ( -5.362 0.000 4.198) 6.809 24.645 ( -5.272 0.000 -2.743) 5.943 25.164 ( 2.068 0.000 3.091) 3.719 25.232 ( 3.879 0.000 -4.956) 6.294 25.248 ( 4.554 0.000 3.608) 5.810 25.444 ( 2.208 0.000 -7.030) 7.369 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -7.593 0.000 0.588) 7.615 1.289 ( 3.785 0.000 -6.287) 7.339 1.604 ( 9.182 0.000 4.177) 10.087 1.648 ( -4.035 0.000 -0.328) 4.048 1.986 ( -9.932 0.000 3.578) 10.557 2.029 ( 4.254 0.000 2.554) 4.962 2.047 ( 1.302 0.000 -0.829) 1.544 2.110 ( 0.008 0.000 -5.948) 5.948 2.270 ( 6.537 0.000 -0.913) 6.601 2.346 ( -7.048 0.000 -7.542) 10.323 2.375 ( -1.237 0.000 3.111) 3.348 2.454 ( -0.554 0.000 -2.556) 2.615 2.550 ( -6.745 0.000 -0.517) 6.765 2.560 ( 5.256 0.000 -3.528) 6.330 2.628 ( 1.200 0.000 0.960) 1.537 2.638 ( 2.799 0.000 1.142) 3.023 2.832 ( -3.866 0.000 2.189) 4.443 2.924 ( 2.055 0.000 2.438) 3.189 2.938 ( 3.301 0.000 -7.351) 8.058 2.994 ( 1.299 0.000 -2.923) 3.198 3.092 ( -1.115 0.000 5.509) 5.621 3.160 ( 1.550 0.000 -0.519) 1.634 3.220 ( 4.072 0.000 6.456) 7.633 3.352 ( -7.101 0.000 5.207) 8.805 3.395 ( 0.472 0.000 -4.968) 4.990 3.499 ( -2.118 0.000 -7.343) 7.642 3.526 ( 1.030 0.000 0.919) 1.380 3.582 ( 6.640 0.000 -4.706) 8.139 3.740 ( -2.730 0.000 8.411) 8.843 3.785 ( 6.670 0.000 11.114) 12.962 3.862 ( 1.261 0.000 -6.483) 6.605 3.974 ( -7.473 0.000 -3.347) 8.188 4.025 ( -7.753 0.000 13.890) 15.908 4.058 ( 3.430 0.000 5.897) 6.822 4.170 ( -3.120 0.000 -6.407) 7.126 4.260 ( 3.663 0.000 -8.050) 8.844 4.430 ( -1.714 0.000 7.071) 7.276 4.616 ( 0.073 0.000 7.345) 7.345 4.640 ( 2.309 0.000 -11.357) 11.589 4.793 ( 5.090 0.000 -3.803) 6.353 4.857 ( -7.967 0.000 5.843) 9.880 4.948 ( 0.726 0.000 -4.226) 4.287 5.006 ( 5.370 0.000 8.486) 10.042 5.089 ( -0.328 0.000 4.356) 4.368 5.097 ( -1.095 0.000 -0.450) 1.184 5.151 ( 0.948 0.000 0.654) 1.152 5.278 ( 0.032 0.000 4.606) 4.606 5.319 ( -3.619 0.000 4.861) 6.060 5.393 ( -0.628 0.000 -3.876) 3.926 5.534 ( 5.697 0.000 -5.917) 8.213 5.577 ( -8.074 0.000 -2.318) 8.401 5.643 ( 0.851 0.000 -7.115) 7.166 5.777 ( 4.007 0.000 0.445) 4.031 5.854 ( 0.509 0.000 0.373) 0.631 6.120 ( -6.962 0.000 1.663) 7.158 6.148 ( 6.366 0.000 0.231) 6.370 6.249 ( -3.314 0.000 6.245) 7.070 6.349 ( 5.727 0.000 0.632) 5.762 6.415 ( -3.103 0.000 2.369) 3.904 6.547 ( 1.779 0.000 -6.782) 7.012 6.584 ( 5.259 0.000 5.319) 7.480 6.704 ( -3.898 0.000 -3.333) 5.129 6.820 ( -7.563 0.000 -1.953) 7.811 6.859 ( 0.037 0.000 -0.734) 0.735 6.957 ( 11.047 0.000 -2.375) 11.299 6.986 ( -1.924 0.000 -3.898) 4.347 7.217 ( -1.625 0.000 1.684) 2.340 7.288 ( -0.081 0.000 -4.737) 4.738 7.302 ( -2.200 0.000 9.090) 9.352 7.506 ( -0.583 0.000 -6.525) 6.551 7.736 ( 0.908 0.000 -1.450) 1.711 7.774 ( -1.652 0.000 -6.281) 6.495 7.873 ( 1.010 0.000 -2.994) 3.160 7.874 ( -0.119 0.000 -3.155) 3.157 8.028 ( -4.750 0.000 7.981) 9.287 8.184 ( 5.022 0.000 -6.642) 8.327 8.439 ( -1.883 0.000 2.566) 3.183 8.485 ( 1.208 0.000 -0.020) 1.209 8.534 ( -6.824 0.000 -0.170) 6.827 8.544 ( 2.899 0.000 0.440) 2.933 8.795 ( 3.629 0.000 0.510) 3.665 8.798 ( -1.324 0.000 0.888) 1.594 8.947 ( 2.513 0.000 1.525) 2.939 8.988 ( 1.009 0.000 -1.576) 1.871 9.387 ( 0.219 0.000 5.218) 5.222 9.479 ( -0.153 0.000 -3.233) 3.237 9.718 ( -4.830 0.000 6.223) 7.878 9.803 ( 3.849 0.000 -1.410) 4.099 9.927 ( 1.333 0.000 4.009) 4.225 9.996 ( -2.663 0.000 4.196) 4.970 10.002 ( 0.120 0.000 -2.790) 2.792 10.082 ( 0.812 0.000 -3.322) 3.420 13.442 ( -1.893 0.000 0.018) 1.893 13.447 ( 1.410 0.000 -0.395) 1.464 13.496 ( 3.035 0.000 0.498) 3.076 13.504 ( -2.427 0.000 -0.283) 2.444 14.222 ( 0.986 0.000 5.301) 5.391 14.297 ( -0.240 0.000 -1.794) 1.810 14.478 ( 0.570 0.000 -0.062) 0.573 14.483 ( -2.159 0.000 0.971) 2.368 14.517 ( 1.117 0.000 2.962) 3.166 14.595 ( 2.580 0.000 1.835) 3.166 14.596 ( -0.296 0.000 -2.606) 2.623 14.637 ( -2.973 0.000 -2.029) 3.599 14.932 ( -0.855 0.000 2.111) 2.278 14.985 ( 1.834 0.000 -2.787) 3.336 15.264 ( 0.594 0.000 0.373) 0.701 15.267 ( -2.453 0.000 -0.234) 2.465 15.501 ( 5.991 0.000 0.652) 6.027 15.525 ( -0.158 0.000 -1.284) 1.293 15.617 ( 1.071 0.000 6.227) 6.318 15.726 ( -7.557 0.000 -1.966) 7.808 15.877 ( -0.476 0.000 3.614) 3.646 15.971 ( -4.591 0.000 1.741) 4.910 15.997 ( 3.339 0.000 -1.144) 3.530 16.005 ( -0.952 0.000 -5.430) 5.512 16.109 ( 5.474 0.000 0.303) 5.483 16.152 ( 1.939 0.000 -2.480) 3.148 16.484 ( -2.135 0.000 3.691) 4.264 16.545 ( 0.144 0.000 -1.489) 1.496 17.269 ( 13.520 0.000 3.115) 13.874 17.379 ( -17.068 0.000 -7.399) 18.603 17.515 ( -12.611 0.000 3.959) 13.218 17.639 ( 14.241 0.000 -6.867) 15.810 20.970 ( -0.207 0.000 0.121) 0.240 20.976 ( 0.164 0.000 -0.480) 0.507 21.420 ( -0.035 0.000 3.119) 3.119 21.448 ( -0.248 0.000 0.413) 0.482 21.545 ( 4.136 0.000 0.832) 4.219 21.575 ( -4.630 0.000 -1.540) 4.880 21.617 ( -4.448 0.000 5.176) 6.824 21.723 ( 5.928 0.000 -3.851) 7.069 22.281 ( -0.686 0.000 1.233) 1.411 22.283 ( 1.727 0.000 0.358) 1.763 22.349 ( 0.828 0.000 0.562) 1.000 22.416 ( -1.695 0.000 -4.663) 4.961 22.665 ( 0.442 0.000 11.046) 11.055 22.875 ( -0.233 0.000 4.008) 4.015 22.887 ( 1.723 0.000 -8.964) 9.128 22.985 ( -1.282 0.000 -5.442) 5.591 23.746 ( -3.008 0.000 2.224) 3.741 23.802 ( 2.293 0.000 -3.372) 4.078 24.041 ( -0.579 0.000 0.680) 0.893 24.052 ( 2.285 0.000 -0.124) 2.289 24.272 ( -0.572 0.000 0.896) 1.063 24.296 ( 1.228 0.000 -1.467) 1.913 24.311 ( 1.658 0.000 -0.112) 1.662 24.314 ( -1.934 0.000 -0.546) 2.010 24.471 ( 1.793 0.000 3.147) 3.622 24.522 ( -2.203 0.000 -1.318) 2.567 24.543 ( -3.053 0.000 4.171) 5.169 24.604 ( 2.212 0.000 -1.762) 2.828 25.179 ( -0.592 0.000 3.338) 3.390 25.289 ( 1.656 0.000 -6.686) 6.889 25.316 ( 1.913 0.000 4.727) 5.099 25.428 ( -3.271 0.000 -5.445) 6.352 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -11.061 0.000 13.295) 17.295 1.315 ( -1.034 0.000 -13.983) 14.021 1.482 ( -11.748 0.000 13.396) 17.818 1.806 ( 2.668 0.000 -12.741) 13.017 1.918 ( 2.460 0.000 0.661) 2.548 2.045 ( -0.230 0.000 6.087) 6.091 2.134 ( 4.512 0.000 1.122) 4.650 2.165 ( -0.398 0.000 -2.740) 2.768 2.239 ( 4.874 0.000 -3.119) 5.787 2.317 ( -3.779 0.000 -3.278) 5.003 2.452 ( 11.917 0.000 3.319) 12.371 2.469 ( -2.289 0.000 8.002) 8.323 2.541 ( 4.608 0.000 -0.526) 4.638 2.558 ( -14.370 0.000 1.201) 14.420 2.633 ( -2.095 0.000 -1.721) 2.711 2.679 ( 3.952 0.000 -0.386) 3.971 2.771 ( 7.994 0.000 -3.354) 8.669 2.849 ( -7.123 0.000 7.006) 9.991 2.916 ( 0.068 0.000 -7.583) 7.584 3.022 ( -7.717 0.000 4.201) 8.786 3.051 ( 0.522 0.000 -3.214) 3.256 3.081 ( -3.949 0.000 2.681) 4.773 3.187 ( 2.309 0.000 -4.176) 4.772 3.277 ( -11.308 0.000 -7.272) 13.445 3.354 ( 0.516 0.000 0.742) 0.904 3.403 ( -1.308 0.000 -7.391) 7.506 3.614 ( 1.549 0.000 5.281) 5.503 3.712 ( 4.083 0.000 0.545) 4.119 3.749 ( 0.702 0.000 -3.960) 4.021 3.884 ( 2.461 0.000 -2.566) 3.555 3.886 ( -2.319 0.000 12.773) 12.982 3.898 ( -1.430 0.000 -4.611) 4.828 4.083 ( 1.631 0.000 9.880) 10.013 4.100 ( -0.124 0.000 -3.736) 3.738 4.131 ( 15.788 0.000 6.508) 17.076 4.300 ( 0.074 0.000 -7.619) 7.620 4.344 ( -5.006 0.000 8.981) 10.282 4.664 ( -5.838 0.000 10.084) 11.652 4.673 ( -0.700 0.000 2.694) 2.784 4.681 ( 0.900 0.000 -5.278) 5.354 4.848 ( 0.810 0.000 -4.392) 4.466 4.921 ( -1.237 0.000 -4.117) 4.299 5.056 ( -1.596 0.000 -2.172) 2.695 5.084 ( 0.366 0.000 2.945) 2.967 5.179 ( 4.832 0.000 0.275) 4.840 5.187 ( 2.654 0.000 2.811) 3.866 5.284 ( 1.965 0.000 -0.458) 2.017 5.319 ( 2.647 0.000 6.741) 7.242 5.425 ( 2.658 0.000 -1.329) 2.972 5.442 ( -3.818 0.000 2.807) 4.739 5.625 ( 2.389 0.000 -0.578) 2.458 5.651 ( -0.384 0.000 -0.608) 0.719 5.826 ( 1.566 0.000 -6.201) 6.396 5.887 ( 3.042 0.000 -3.272) 4.467 5.964 ( -7.898 0.000 1.245) 7.996 6.121 ( -6.453 0.000 -0.230) 6.457 6.273 ( 1.631 0.000 -0.570) 1.728 6.285 ( -8.247 0.000 3.925) 9.133 6.448 ( 3.989 0.000 -2.388) 4.650 6.561 ( -0.971 0.000 -0.571) 1.127 6.590 ( -4.689 0.000 -4.727) 6.658 6.642 ( -0.862 0.000 4.880) 4.955 6.788 ( 5.124 0.000 -3.530) 6.222 6.912 ( 8.543 0.000 0.985) 8.600 6.999 ( 0.554 0.000 -1.514) 1.612 7.136 ( 5.156 0.000 -3.011) 5.971 7.201 ( -0.650 0.000 1.895) 2.004 7.292 ( 1.537 0.000 -0.719) 1.697 7.332 ( 5.041 0.000 1.695) 5.318 7.505 ( -0.121 0.000 -1.073) 1.080 7.727 ( -1.836 0.000 2.048) 2.751 7.744 ( -1.133 0.000 -8.118) 8.196 7.867 ( -2.658 0.000 0.724) 2.755 7.877 ( -1.387 0.000 -3.818) 4.063 7.972 ( 1.812 0.000 2.931) 3.445 8.233 ( -0.549 0.000 -4.665) 4.697 8.384 ( -3.772 0.000 3.039) 4.844 8.412 ( -3.693 0.000 3.126) 4.838 8.503 ( 0.394 0.000 -2.035) 2.073 8.588 ( 1.243 0.000 2.828) 3.089 8.785 ( 0.182 0.000 -0.754) 0.775 8.865 ( 2.554 0.000 -0.215) 2.563 8.993 ( -0.723 0.000 -4.081) 4.145 9.004 ( 4.356 0.000 -2.541) 5.043 9.299 ( -8.579 0.000 5.863) 10.392 9.428 ( -3.977 0.000 -3.206) 5.109 9.660 ( -2.656 0.000 4.188) 4.960 9.768 ( -7.237 0.000 3.481) 8.031 9.938 ( 2.363 0.000 -0.127) 2.366 9.944 ( -3.027 0.000 -1.699) 3.471 10.077 ( 6.743 0.000 3.525) 7.609 10.156 ( 4.572 0.000 -1.798) 4.913 13.427 ( 0.206 0.000 0.440) 0.485 13.465 ( -0.180 0.000 -0.188) 0.260 13.512 ( 3.577 0.000 -0.804) 3.666 13.571 ( 4.359 0.000 0.317) 4.370 14.237 ( 0.014 0.000 2.507) 2.507 14.274 ( -1.724 0.000 -1.238) 2.123 14.466 ( -0.141 0.000 0.799) 0.811 14.527 ( 4.921 0.000 3.014) 5.771 14.541 ( 1.153 0.000 3.424) 3.612 14.584 ( -1.649 0.000 -0.888) 1.873 14.614 ( 1.644 0.000 -4.741) 5.018 14.667 ( 4.585 0.000 2.512) 5.228 14.920 ( -0.501 0.000 0.645) 0.816 15.013 ( 0.651 0.000 -3.246) 3.310 15.207 ( -3.347 0.000 -0.262) 3.357 15.225 ( -3.321 0.000 2.530) 4.175 15.513 ( -8.966 0.000 2.219) 9.237 15.581 ( 1.427 0.000 -6.502) 6.657 15.611 ( 3.110 0.000 2.465) 3.969 15.626 ( 2.126 0.000 5.443) 5.843 15.770 ( -10.378 0.000 1.271) 10.455 15.862 ( -0.489 0.000 -0.253) 0.550 16.009 ( -0.822 0.000 1.562) 1.765 16.031 ( -0.195 0.000 -1.831) 1.841 16.251 ( 7.513 0.000 -2.287) 7.854 16.272 ( 7.516 0.000 -5.611) 9.380 16.452 ( -2.205 0.000 2.405) 3.263 16.549 ( 0.495 0.000 1.268) 1.361 17.023 ( -18.565 0.000 -5.848) 19.464 17.153 ( -17.452 0.000 5.016) 18.158 17.597 ( 12.913 0.000 2.237) 13.106 17.874 ( 9.965 0.000 -5.175) 11.229 20.961 ( -0.616 0.000 0.188) 0.644 20.974 ( -0.323 0.000 -0.502) 0.597 21.395 ( -2.982 0.000 4.715) 5.579 21.441 ( -1.081 0.000 1.666) 1.986 21.492 ( -2.674 0.000 -4.450) 5.192 21.493 ( -2.764 0.000 2.022) 3.424 21.714 ( 7.817 0.000 2.535) 8.218 21.865 ( 7.892 0.000 -3.351) 8.574 22.251 ( -1.973 0.000 0.460) 2.026 22.310 ( 0.074 0.000 -0.954) 0.957 22.383 ( 2.059 0.000 0.922) 2.256 22.386 ( -0.540 0.000 -2.696) 2.749 22.668 ( -0.730 0.000 6.425) 6.466 22.862 ( -2.819 0.000 -7.518) 8.029 22.905 ( 3.911 0.000 7.507) 8.465 23.039 ( 5.817 0.000 -7.277) 9.316 23.665 ( -4.783 0.000 1.361) 4.973 23.775 ( -4.202 0.000 -2.164) 4.726 24.096 ( 4.733 0.000 -1.570) 4.986 24.117 ( 3.781 0.000 0.587) 3.826 24.253 ( -3.285 0.000 -0.028) 3.285 24.259 ( -0.574 0.000 0.725) 0.925 24.334 ( 0.227 0.000 -0.078) 0.240 24.344 ( 2.929 0.000 -2.345) 3.752 24.465 ( -3.077 0.000 -0.723) 3.161 24.477 ( -1.152 0.000 2.831) 3.056 24.558 ( 5.106 0.000 5.420) 7.446 24.683 ( 5.088 0.000 -1.357) 5.266 25.147 ( -2.492 0.000 2.687) 3.665 25.280 ( -2.814 0.000 -7.767) 8.261 25.313 ( -2.376 0.000 5.022) 5.555 25.333 ( -5.942 0.000 -4.047) 7.190 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -3.514 0.000 20.399) 20.700 1.243 ( -5.045 0.000 -18.632) 19.303 1.264 ( -9.812 0.000 22.340) 24.400 1.675 ( -13.344 0.000 -7.016) 15.076 1.947 ( -8.234 0.000 12.006) 14.558 1.978 ( 2.657 0.000 -0.742) 2.759 2.080 ( -7.567 0.000 6.876) 10.224 2.208 ( -0.542 0.000 -3.503) 3.544 2.238 ( 0.895 0.000 -8.872) 8.917 2.316 ( 7.559 0.000 -0.994) 7.624 2.471 ( 9.219 0.000 13.429) 16.289 2.487 ( -3.019 0.000 -9.543) 10.009 2.618 ( -3.748 0.000 5.593) 6.733 2.656 ( 2.632 0.000 3.685) 4.529 2.699 ( 5.343 0.000 -1.577) 5.571 2.725 ( 11.683 0.000 2.543) 11.957 2.819 ( 4.417 0.000 4.175) 6.078 2.846 ( -0.997 0.000 -2.745) 2.920 2.954 ( 2.347 0.000 -6.815) 7.207 2.987 ( 2.972 0.000 -1.767) 3.457 3.016 ( -1.868 0.000 0.664) 1.983 3.027 ( -2.559 0.000 -6.053) 6.571 3.110 ( -4.679 0.000 -6.718) 8.187 3.198 ( -3.014 0.000 -9.983) 10.427 3.329 ( -4.465 0.000 -3.008) 5.384 3.347 ( 0.465 0.000 1.907) 1.962 3.606 ( -1.785 0.000 5.381) 5.670 3.705 ( -2.670 0.000 -2.699) 3.797 3.795 ( 2.980 0.000 -3.454) 4.561 3.844 ( -3.820 0.000 -1.264) 4.024 3.886 ( 0.717 0.000 2.477) 2.579 3.911 ( 0.773 0.000 -6.291) 6.338 4.044 ( -2.501 0.000 11.278) 11.552 4.198 ( 7.346 0.000 3.749) 8.248 4.294 ( -0.003 0.000 -8.136) 8.136 4.295 ( -1.412 0.000 10.326) 10.422 4.434 ( 11.879 0.000 4.650) 12.756 4.528 ( -2.548 0.000 11.729) 12.002 4.653 ( -2.817 0.000 4.007) 4.898 4.712 ( 0.643 0.000 2.314) 2.402 4.824 ( -3.271 0.000 -3.723) 4.955 4.931 ( -0.981 0.000 -9.365) 9.416 4.992 ( -1.930 0.000 -8.557) 8.772 5.037 ( -2.875 0.000 0.158) 2.880 5.253 ( 2.722 0.000 1.228) 2.986 5.260 ( 4.025 0.000 1.613) 4.336 5.300 ( -2.645 0.000 8.271) 8.683 5.383 ( 6.788 0.000 -2.491) 7.231 5.440 ( -1.119 0.000 -1.232) 1.664 5.477 ( 2.749 0.000 8.392) 8.831 5.607 ( -2.752 0.000 6.978) 7.502 5.660 ( 1.488 0.000 -2.241) 2.690 5.825 ( -2.034 0.000 -4.137) 4.610 5.903 ( 3.341 0.000 -5.644) 6.559 5.922 ( -3.076 0.000 0.647) 3.143 5.986 ( -4.121 0.000 -5.695) 7.030 6.144 ( -5.901 0.000 0.392) 5.914 6.241 ( -3.436 0.000 -8.916) 9.555 6.456 ( -3.346 0.000 5.593) 6.518 6.491 ( 0.304 0.000 -2.487) 2.505 6.627 ( -0.408 0.000 5.141) 5.157 6.686 ( 7.418 0.000 -4.621) 8.739 6.944 ( 9.731 0.000 -4.568) 10.750 6.992 ( -0.184 0.000 6.637) 6.640 7.108 ( 8.612 0.000 -1.812) 8.801 7.133 ( -3.908 0.000 2.650) 4.722 7.232 ( 4.266 0.000 -2.669) 5.032 7.356 ( 3.652 0.000 -1.388) 3.907 7.419 ( 2.975 0.000 -2.266) 3.739 7.475 ( -3.250 0.000 2.316) 3.990 7.681 ( -2.418 0.000 6.098) 6.560 7.725 ( -1.811 0.000 -3.561) 3.995 7.787 ( -4.039 0.000 -0.216) 4.045 7.819 ( -2.291 0.000 -6.690) 7.072 8.086 ( 7.983 0.000 0.413) 7.994 8.192 ( -2.047 0.000 -0.435) 2.093 8.299 ( -4.738 0.000 3.268) 5.756 8.362 ( -2.781 0.000 1.631) 3.224 8.533 ( 2.663 0.000 -1.703) 3.161 8.593 ( -0.426 0.000 1.859) 1.907 8.808 ( 2.143 0.000 -1.395) 2.557 8.882 ( -0.593 0.000 -0.507) 0.780 8.963 ( -1.670 0.000 -5.373) 5.626 9.057 ( -6.204 0.000 -1.530) 6.390 9.189 ( 5.433 0.000 2.809) 6.116 9.351 ( -3.779 0.000 -0.274) 3.789 9.551 ( -8.312 0.000 0.175) 8.314 9.594 ( -9.566 0.000 1.780) 9.730 9.927 ( 0.905 0.000 2.107) 2.294 9.981 ( 1.507 0.000 -0.211) 1.522 10.195 ( 4.673 0.000 1.759) 4.993 10.234 ( 3.068 0.000 -0.817) 3.175 13.442 ( 1.048 0.000 0.443) 1.138 13.467 ( 0.367 0.000 -0.673) 0.767 13.596 ( 4.381 0.000 -0.507) 4.410 13.646 ( 2.642 0.000 0.341) 2.664 14.229 ( -0.317 0.000 -0.787) 0.849 14.238 ( -1.881 0.000 0.127) 1.885 14.464 ( -0.070 0.000 1.051) 1.053 14.533 ( -2.093 0.000 -1.049) 2.341 14.568 ( 1.529 0.000 4.436) 4.692 14.666 ( 3.531 0.000 -5.383) 6.437 14.689 ( 8.512 0.000 3.378) 9.158 14.755 ( 3.882 0.000 2.280) 4.502 14.907 ( -0.797 0.000 -1.557) 1.749 14.982 ( -3.611 0.000 -2.308) 4.285 15.157 ( -1.042 0.000 -1.087) 1.505 15.188 ( -1.512 0.000 2.169) 2.643 15.331 ( -5.573 0.000 4.293) 7.034 15.555 ( -8.044 0.000 -0.164) 8.045 15.653 ( 2.524 0.000 12.124) 12.384 15.656 ( 3.918 0.000 -6.129) 7.274 15.744 ( 5.565 0.000 -2.099) 5.948 15.868 ( 1.719 0.000 -4.618) 4.927 15.994 ( -0.601 0.000 1.432) 1.553 16.011 ( -2.241 0.000 0.386) 2.274 16.320 ( -8.938 0.000 -3.022) 9.435 16.372 ( 1.602 0.000 -5.079) 5.325 16.372 ( 2.085 0.000 1.633) 2.648 16.570 ( 1.559 0.000 2.345) 2.816 16.739 ( -8.049 0.000 0.900) 8.099 16.810 ( -16.128 0.000 1.119) 16.167 17.815 ( 8.791 0.000 3.765) 9.564 18.019 ( 4.742 0.000 -4.910) 6.826 20.950 ( -0.399 0.000 0.296) 0.497 20.966 ( -0.435 0.000 -0.630) 0.766 21.325 ( -3.289 0.000 5.618) 6.510 21.401 ( -1.801 0.000 -2.223) 2.861 21.473 ( -0.116 0.000 0.945) 0.952 21.481 ( 0.505 0.000 -1.746) 1.817 21.860 ( 6.674 0.000 3.927) 7.743 22.014 ( 7.209 0.000 -3.677) 8.093 22.208 ( -2.466 0.000 0.451) 2.507 22.253 ( -5.267 0.000 -3.636) 6.400 22.417 ( 2.880 0.000 0.806) 2.990 22.420 ( 1.596 0.000 0.387) 1.642 22.641 ( -1.659 0.000 3.352) 3.740 22.807 ( -2.455 0.000 -7.042) 7.458 23.034 ( 8.502 0.000 7.580) 11.391 23.173 ( 7.064 0.000 -6.670) 9.715 23.580 ( -3.133 0.000 -1.452) 3.454 23.655 ( -8.244 0.000 -0.201) 8.246 24.158 ( 0.766 0.000 -2.396) 2.515 24.158 ( -1.730 0.000 2.160) 2.768 24.210 ( 1.072 0.000 1.358) 1.731 24.277 ( 2.985 0.000 0.389) 3.010 24.317 ( -1.571 0.000 -0.289) 1.597 24.385 ( -1.481 0.000 -0.222) 1.498 24.433 ( 2.336 0.000 -2.802) 3.648 24.460 ( -0.861 0.000 2.514) 2.657 24.720 ( 11.290 0.000 4.172) 12.037 24.788 ( 5.393 0.000 -0.520) 5.418 25.096 ( -2.365 0.000 1.840) 2.996 25.173 ( -7.725 0.000 -5.592) 9.537 25.215 ( -5.588 0.000 -2.997) 6.341 25.227 ( -6.200 0.000 3.378) 7.061 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -1.416 13.383 14.976) 20.134 1.117 ( -1.087 3.825 19.202) 19.609 1.318 ( 3.736 7.409 -13.727) 16.040 1.588 ( 0.334 1.220 -14.301) 14.357 1.824 ( -0.422 -0.505 11.267) 11.286 1.970 ( -2.015 -1.963 0.076) 2.814 2.134 ( 3.308 4.836 3.791) 6.978 2.172 ( 0.949 -2.088 -7.377) 7.725 2.269 ( -3.725 1.572 -4.888) 6.343 2.392 ( -3.715 -6.716 8.248) 11.267 2.419 ( 2.816 -2.881 2.978) 5.009 2.477 ( 6.655 -7.341 -0.256) 9.912 2.619 ( -2.042 -6.540 -0.219) 6.855 2.642 ( 3.119 -1.595 1.620) 3.859 2.666 ( 1.822 -3.188 2.135) 4.248 2.733 ( -1.799 -1.568 -5.455) 5.954 2.821 ( 3.470 -5.821 -0.588) 6.802 2.896 ( -4.443 2.533 -8.061) 9.546 2.903 ( 0.890 2.027 2.525) 3.358 2.955 ( -4.537 0.216 4.946) 6.715 3.014 ( -2.834 3.697 0.797) 4.726 3.052 ( 0.459 1.470 0.273) 1.564 3.114 ( -1.793 2.968 -5.108) 6.174 3.209 ( -2.716 2.975 -8.435) 9.347 3.317 ( 6.707 3.555 3.015) 8.168 3.414 ( -1.353 2.736 -3.985) 5.020 3.600 ( -0.923 2.312 6.269) 6.745 3.677 ( 1.682 -1.270 1.140) 2.396 3.831 ( -4.608 2.641 -0.771) 5.367 3.849 ( 0.769 1.571 -0.127) 1.754 3.929 ( 1.300 2.373 0.119) 2.708 3.966 ( 0.620 6.350 -1.889) 6.654 4.087 ( -2.385 -1.276 3.500) 4.423 4.152 ( 2.182 0.836 -1.712) 2.896 4.316 ( -1.690 1.690 7.729) 8.090 4.421 ( 1.914 0.069 6.678) 6.948 4.458 ( 3.478 -1.212 5.676) 6.766 4.630 ( 5.615 1.340 5.578) 8.027 4.659 ( -3.382 3.444 6.601) 8.178 4.757 ( -1.756 1.061 -1.348) 2.455 4.778 ( -3.333 2.001 -3.794) 5.432 4.824 ( -1.524 -0.634 -11.194) 11.315 5.040 ( 1.396 -0.140 -2.525) 2.889 5.053 ( 0.139 4.239 -4.213) 5.978 5.166 ( -1.292 -2.842 1.700) 3.554 5.196 ( 2.816 -5.177 -0.131) 5.895 5.417 ( -1.788 -1.614 4.704) 5.285 5.447 ( 1.832 2.365 2.041) 3.621 5.469 ( 0.926 2.104 1.015) 2.512 5.531 ( 3.129 0.870 -1.279) 3.491 5.621 ( -6.956 -0.842 0.680) 7.039 5.631 ( 0.192 3.805 3.518) 5.186 5.771 ( -0.223 0.323 -1.160) 1.224 5.826 ( 5.131 -0.674 -5.126) 7.284 5.949 ( -4.448 -3.899 2.491) 6.418 5.989 ( 4.648 -1.070 -4.107) 6.294 6.114 ( -4.546 0.182 -1.404) 4.762 6.121 ( 0.532 3.489 -5.640) 6.653 6.321 ( -0.077 -8.154 2.053) 8.409 6.434 ( 2.203 -6.599 -6.041) 9.213 6.643 ( 0.100 -0.359 2.674) 2.700 6.755 ( -0.498 -1.311 -4.450) 4.666 6.878 ( -5.997 -7.113 8.233) 12.423 7.010 ( -3.101 -0.959 2.145) 3.891 7.090 ( 6.092 -1.085 -5.730) 8.433 7.141 ( 1.028 -6.337 -5.626) 8.536 7.294 ( 4.476 0.598 1.544) 4.773 7.348 ( -3.127 -0.709 -2.749) 4.224 7.468 ( -3.825 3.748 6.638) 8.529 7.572 ( 3.852 2.965 2.560) 5.494 7.638 ( 0.361 -2.676 2.588) 3.740 7.660 ( -0.545 -4.891 -2.907) 5.716 7.720 ( 1.597 2.906 -5.880) 6.750 7.822 ( -0.081 -3.894 -5.591) 6.814 8.036 ( -3.405 -2.476 2.593) 4.944 8.142 ( 4.240 -4.387 -4.880) 7.813 8.311 ( 2.573 2.314 4.211) 5.450 8.372 ( -0.946 2.778 -1.100) 3.134 8.583 ( 0.822 0.357 1.699) 1.921 8.597 ( -0.389 0.900 0.483) 1.093 8.789 ( -1.985 -4.596 1.223) 5.153 8.827 ( 1.275 -2.526 -2.435) 3.733 8.958 ( -7.763 4.239 2.073) 9.085 8.989 ( 2.376 2.281 -0.270) 3.305 9.289 ( -0.403 1.751 3.065) 3.553 9.369 ( 1.477 -0.521 -3.731) 4.047 9.513 ( 0.411 8.275 1.788) 8.476 9.566 ( 0.107 7.028 -2.926) 7.613 9.968 ( 0.978 1.902 2.645) 3.401 9.995 ( -0.988 0.917 -0.110) 1.352 10.211 ( -0.180 -2.958 1.408) 3.281 10.233 ( 0.186 -2.886 -0.647) 2.964 13.474 ( 0.479 1.606 0.433) 1.731 13.488 ( -0.440 1.556 -0.858) 1.830 13.634 ( -1.454 -1.896 0.407) 2.424 13.639 ( 1.164 -1.863 -0.165) 2.203 14.219 ( -0.795 0.912 0.605) 1.353 14.236 ( 0.495 0.675 -0.578) 1.017 14.403 ( -0.487 -4.890 2.510) 5.518 14.450 ( -0.240 -4.157 -1.746) 4.515 14.590 ( -0.614 0.413 5.385) 5.435 14.684 ( -0.970 -1.802 -2.264) 3.052 14.799 ( 3.908 -0.131 -0.482) 3.940 14.804 ( 0.852 -0.051 -0.767) 1.147 14.902 ( -2.296 -0.221 -0.064) 2.308 14.907 ( -0.288 -0.126 -0.585) 0.664 15.115 ( -0.374 -0.501 2.029) 2.123 15.163 ( 1.741 -1.599 -2.180) 3.216 15.405 ( 6.572 3.072 2.306) 7.612 15.447 ( -5.213 1.342 -1.085) 5.491 15.560 ( -8.973 -6.091 8.667) 13.883 15.646 ( 0.272 -3.388 1.151) 3.589 15.801 ( 3.641 4.154 1.547) 5.736 15.905 ( 1.632 -0.876 -5.868) 6.153 15.989 ( 1.803 1.481 1.613) 2.836 16.026 ( -0.322 3.274 -0.681) 3.359 16.221 ( 1.141 -3.179 0.551) 3.422 16.273 ( -3.157 -3.730 -3.739) 6.153 16.491 ( 0.556 0.938 3.190) 3.371 16.558 ( 1.396 -1.417 -2.252) 3.005 16.820 ( 0.013 14.222 2.074) 14.372 16.894 ( 1.023 17.775 -5.505) 18.636 17.852 ( 1.976 -6.845 4.106) 8.223 17.950 ( -1.914 -8.320 -4.422) 9.614 21.012 ( -0.131 5.030 0.441) 5.051 21.034 ( 0.458 6.097 -1.582) 6.316 21.274 ( -0.338 -1.201 4.649) 4.814 21.368 ( 0.744 -2.227 -3.465) 4.186 21.526 ( -0.766 4.816 0.895) 4.958 21.558 ( 1.116 6.029 -1.874) 6.411 21.915 ( 1.111 -3.057 5.428) 6.328 22.055 ( -3.913 -4.340 -7.029) 9.141 22.171 ( 0.240 2.123 1.910) 2.866 22.194 ( -0.007 1.961 0.177) 1.969 22.414 ( 0.800 -1.417 1.049) 1.936 22.461 ( -0.205 -1.025 -3.021) 3.196 22.643 ( 0.431 1.684 4.300) 4.638 22.766 ( -0.213 -0.831 -5.764) 5.828 23.143 ( -1.785 -0.474 4.651) 5.004 23.216 ( -0.606 -2.325 -0.893) 2.564 23.408 ( -1.101 -6.450 1.387) 6.688 23.502 ( 2.711 -7.273 -6.352) 10.030 24.111 ( -2.269 0.534 2.931) 3.746 24.161 ( 0.499 -0.349 -1.529) 1.646 24.246 ( 1.447 -0.098 1.806) 2.317 24.270 ( -2.404 -0.244 -0.002) 2.416 24.315 ( 3.555 -1.887 -0.304) 4.036 24.323 ( -1.519 -0.763 -0.497) 1.771 24.483 ( -1.674 4.059 3.676) 5.726 24.543 ( 1.005 2.946 -1.408) 3.416 24.868 ( 0.269 0.542 1.030) 1.194 24.887 ( -1.539 -0.184 -0.691) 1.697 25.069 ( -0.101 0.051 0.440) 0.454 25.093 ( 1.601 0.035 -1.627) 2.283 25.130 ( 0.019 0.776 0.602) 0.982 25.150 ( 1.057 0.174 -1.382) 1.748 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 7.013 13.495 11.521) 19.080 1.217 ( 8.385 9.732 12.979) 18.261 1.453 ( 6.837 1.896 -12.721) 14.566 1.664 ( 7.093 -1.220 -12.972) 14.835 1.873 ( 3.802 -3.184 4.966) 7.018 1.979 ( 4.000 1.362 4.237) 5.984 2.131 ( -3.878 -4.119 -10.819) 12.209 2.231 ( 5.500 6.747 11.387) 14.333 2.270 ( -3.131 -4.049 -3.308) 6.094 2.305 ( 0.787 -3.104 -5.333) 6.220 2.434 ( -0.824 -3.397 6.022) 6.963 2.527 ( -7.080 -4.526 3.645) 9.160 2.572 ( 0.008 -3.842 -5.098) 6.384 2.661 ( -1.115 -3.360 -3.199) 4.772 2.679 ( -3.549 -2.961 2.493) 5.251 2.729 ( 2.467 -2.013 -0.755) 3.272 2.779 ( -2.096 0.905 3.707) 4.354 2.850 ( -0.698 1.575 -0.942) 1.964 2.859 ( -5.744 3.323 -0.331) 6.644 2.901 ( 1.852 0.005 -0.172) 1.860 2.956 ( -2.517 -2.459 2.492) 4.312 3.085 ( 2.288 2.362 0.492) 3.326 3.142 ( 5.388 3.759 -1.005) 6.646 3.179 ( 3.565 3.603 -5.518) 7.493 3.316 ( -4.789 5.186 -0.644) 7.088 3.487 ( 2.648 4.665 -3.424) 6.363 3.576 ( -1.210 -2.513 4.356) 5.172 3.719 ( -0.355 0.159 2.236) 2.270 3.772 ( 2.397 1.133 1.777) 3.191 3.837 ( -1.207 -0.311 2.513) 2.805 3.939 ( -2.518 7.545 -3.562) 8.715 4.007 ( 4.319 0.591 3.713) 5.726 4.035 ( -2.137 3.175 -2.662) 4.662 4.198 ( 1.712 1.301 3.496) 4.104 4.290 ( -1.653 2.120 3.181) 4.165 4.379 ( -6.496 2.072 -1.393) 6.959 4.519 ( 3.340 -5.798 8.311) 10.670 4.612 ( 0.096 0.064 2.664) 2.667 4.670 ( -3.631 2.408 -1.587) 4.636 4.738 ( 3.318 3.637 8.855) 10.131 4.769 ( -0.659 2.232 -0.519) 2.384 4.832 ( 1.949 -2.837 -9.100) 9.729 4.989 ( -4.133 2.704 -3.595) 6.109 5.052 ( 0.110 -4.443 -2.657) 5.178 5.187 ( 0.304 -0.633 3.049) 3.129 5.270 ( 2.641 -0.680 -1.581) 3.152 5.333 ( -4.829 -0.367 2.582) 5.488 5.460 ( -1.578 1.234 0.635) 2.101 5.472 ( -1.610 2.365 3.360) 4.413 5.519 ( 0.609 -4.020 1.569) 4.358 5.548 ( -1.825 -1.715 2.247) 3.365 5.647 ( 0.134 2.121 -0.538) 2.193 5.792 ( -0.488 0.365 -5.512) 5.546 5.839 ( -0.787 -4.130 -2.102) 4.701 5.945 ( -0.862 4.161 2.185) 4.778 6.029 ( 4.961 -0.698 0.092) 5.011 6.121 ( 5.830 1.587 -2.806) 6.661 6.190 ( 5.068 0.506 -3.952) 6.447 6.329 ( 1.121 -7.901 -2.164) 8.269 6.482 ( 3.096 -2.881 -3.801) 5.686 6.597 ( -4.332 -0.109 4.252) 6.071 6.729 ( -1.585 -3.995 -4.867) 6.493 6.777 ( -4.406 -3.902 7.647) 9.649 6.902 ( -5.782 -0.980 1.258) 5.998 7.085 ( -6.624 -4.187 -2.238) 8.150 7.180 ( 3.430 -3.943 -7.043) 8.770 7.270 ( -3.377 1.312 -2.161) 4.219 7.349 ( -0.491 3.413 0.657) 3.511 7.420 ( -1.662 -0.543 3.959) 4.328 7.575 ( -1.259 3.919 3.689) 5.527 7.699 ( 3.461 -1.929 -3.123) 5.045 7.747 ( 5.954 -4.946 -5.260) 9.359 7.778 ( 3.079 0.252 -1.863) 3.607 7.798 ( 0.168 -5.314 -2.327) 5.804 8.001 ( 0.190 2.008 -1.617) 2.585 8.214 ( 2.073 -3.157 -4.080) 5.559 8.359 ( 1.235 0.550 2.216) 2.596 8.366 ( 2.130 2.533 -0.359) 3.329 8.567 ( -3.167 2.292 -0.162) 3.913 8.636 ( 4.099 1.043 -0.675) 4.283 8.731 ( -3.957 -2.671 -0.209) 4.778 8.787 ( -1.719 -2.145 6.223) 6.803 8.912 ( -1.187 -1.362 -1.418) 2.297 8.974 ( -2.515 -0.414 4.234) 4.942 9.272 ( 3.120 3.576 0.012) 4.746 9.474 ( 1.627 10.228 0.040) 10.356 9.514 ( 6.195 -2.334 0.840) 6.673 9.692 ( 8.366 3.590 -2.217) 9.370 9.953 ( -2.399 1.005 0.909) 2.755 9.981 ( -0.409 2.309 1.588) 2.832 10.173 ( -3.461 -2.844 1.491) 4.721 10.203 ( -3.060 -2.096 -0.631) 3.763 13.463 ( -1.473 0.790 -0.235) 1.688 13.477 ( -0.529 1.659 0.007) 1.742 13.571 ( -4.259 -1.576 0.330) 4.553 13.627 ( -2.511 -1.755 0.265) 3.075 14.216 ( 0.018 0.315 1.446) 1.480 14.250 ( 1.464 1.697 0.117) 2.245 14.402 ( 0.293 -4.751 2.310) 5.291 14.465 ( 1.649 -3.584 -0.916) 4.050 14.553 ( -2.543 -0.117 4.763) 5.401 14.625 ( -4.057 -2.188 -0.733) 4.668 14.744 ( -5.742 1.009 -1.550) 6.032 14.809 ( -3.348 -0.181 -2.457) 4.157 14.920 ( 3.532 1.893 -0.947) 4.118 14.941 ( 2.930 0.382 1.478) 3.304 15.134 ( 2.296 0.074 0.016) 2.297 15.227 ( 2.602 -1.850 -1.631) 3.585 15.393 ( 0.076 -1.497 1.989) 2.491 15.425 ( -1.621 -1.577 5.343) 5.802 15.552 ( 6.254 3.139 2.574) 7.456 15.635 ( 0.132 -2.671 3.317) 4.260 15.857 ( 0.772 2.934 -2.118) 3.700 15.921 ( 0.838 1.212 -6.253) 6.424 15.995 ( 0.151 1.302 0.828) 1.550 16.033 ( 1.417 3.741 1.299) 4.206 16.236 ( -2.281 -1.706 2.155) 3.572 16.309 ( 4.668 -0.856 -1.792) 5.073 16.526 ( 1.006 -0.227 -1.178) 1.565 16.590 ( 1.623 -2.087 -0.770) 2.753 16.824 ( 2.759 10.531 0.089) 10.886 17.014 ( 11.171 10.808 -6.606) 16.889 17.815 ( -6.485 -7.878 1.669) 10.339 17.856 ( -6.683 -6.308 -2.217) 9.454 21.014 ( 0.354 4.852 0.272) 4.872 21.047 ( 0.744 6.972 -1.756) 7.228 21.298 ( 2.669 -1.298 4.380) 5.291 21.403 ( 2.679 -2.461 -3.391) 4.973 21.506 ( -1.162 3.906 0.727) 4.139 21.569 ( 0.148 5.296 -2.215) 5.742 21.863 ( -6.193 -3.043 4.974) 8.506 21.899 ( -8.911 -2.179 -0.821) 9.210 22.208 ( 2.109 0.859 0.504) 2.333 22.233 ( 2.808 1.737 0.435) 3.331 22.401 ( -1.921 -1.205 -0.446) 2.312 22.455 ( -0.388 -1.537 -2.700) 3.131 22.661 ( 0.906 1.288 5.916) 6.122 22.779 ( 1.669 -0.476 -6.219) 6.456 22.999 ( -7.760 0.304 7.234) 10.613 23.135 ( -5.881 -2.214 -3.811) 7.350 23.512 ( 8.075 -4.660 -0.921) 9.369 23.611 ( 6.500 -7.042 -3.795) 10.307 24.070 ( -2.533 0.042 4.299) 4.990 24.169 ( -1.242 -1.829 -0.137) 2.215 24.230 ( -0.069 0.740 -0.525) 0.910 24.260 ( 0.421 0.139 0.125) 0.461 24.332 ( 1.765 0.169 -0.729) 1.917 24.375 ( 1.856 -0.854 0.178) 2.051 24.432 ( -2.683 4.800 3.710) 6.634 24.544 ( -0.697 2.300 -0.956) 2.586 24.743 ( -8.042 -0.422 2.188) 8.345 24.778 ( -8.132 -0.014 -0.707) 8.162 25.107 ( 3.489 0.164 1.072) 3.654 25.141 ( 4.032 -0.725 1.065) 4.233 25.181 ( 3.848 1.437 -2.156) 4.639 25.308 ( 8.855 -1.809 -5.012) 10.335 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 11.412 9.491 2.041) 14.982 1.347 ( 3.694 12.899 -0.312) 13.421 1.562 ( 5.526 -3.963 -6.239) 9.229 1.723 ( -3.784 2.875 -1.889) 5.114 1.972 ( 1.402 -3.934 0.542) 4.212 2.005 ( -0.930 1.837 2.939) 3.589 2.086 ( -3.179 -6.425 -1.415) 7.306 2.143 ( 0.169 -4.778 -6.157) 7.795 2.188 ( -7.221 -1.298 0.009) 7.337 2.370 ( 3.823 4.106 -5.320) 7.731 2.447 ( -2.339 -0.711 3.504) 4.272 2.495 ( 1.343 -3.123 -0.364) 3.419 2.525 ( -6.127 -4.081 2.008) 7.631 2.608 ( -0.945 1.863 -0.491) 2.146 2.627 ( -0.727 -0.888 0.089) 1.151 2.705 ( -3.016 -3.881 -3.202) 5.866 2.768 ( 4.791 0.251 -1.588) 5.053 2.800 ( -0.475 4.745 0.822) 4.839 2.920 ( -0.371 -1.095 3.092) 3.301 2.970 ( 10.189 5.848 6.485) 13.419 3.013 ( 7.058 -3.353 -1.128) 7.895 3.147 ( 2.627 5.977 1.517) 6.703 3.196 ( -2.426 -1.360 -0.973) 2.946 3.274 ( 7.392 3.939 -2.364) 8.703 3.324 ( 7.045 3.409 -1.103) 7.904 3.437 ( -3.469 0.269 -0.385) 3.501 3.582 ( 1.423 -1.726 2.811) 3.592 3.695 ( -2.407 -1.857 4.406) 5.353 3.783 ( -8.158 2.114 -4.025) 9.340 3.816 ( -3.225 3.042 3.469) 5.629 3.885 ( 2.342 3.090 3.234) 5.049 4.019 ( 3.236 3.281 -1.581) 4.872 4.117 ( -0.926 1.617 -0.698) 1.990 4.165 ( -4.309 2.469 0.774) 5.026 4.205 ( -1.298 2.924 6.073) 6.864 4.325 ( -0.054 3.826 -6.602) 7.631 4.497 ( -4.072 -0.601 7.221) 8.312 4.625 ( -0.652 -0.533 -3.246) 3.354 4.674 ( -0.095 2.213 5.199) 5.651 4.712 ( 2.190 4.860 1.027) 5.429 4.822 ( 3.287 -5.212 -1.527) 6.348 4.852 ( 0.343 -2.441 5.481) 6.010 4.957 ( -0.508 -3.788 -3.517) 5.193 5.049 ( -0.248 -5.752 0.276) 5.764 5.147 ( -3.057 0.819 5.072) 5.979 5.225 ( -3.311 2.989 -1.169) 4.611 5.298 ( -2.408 -1.070 0.245) 2.646 5.417 ( -3.009 1.992 1.985) 4.118 5.439 ( -2.810 -0.198 -1.340) 3.119 5.463 ( -2.867 -0.894 0.771) 3.100 5.552 ( 1.310 -4.332 -1.237) 4.692 5.684 ( 3.571 -0.054 -3.648) 5.105 5.759 ( -1.571 1.502 0.397) 2.209 5.868 ( -2.606 1.417 3.445) 4.546 5.910 ( 4.203 -4.539 -1.034) 6.271 6.138 ( 1.208 -0.756 -1.881) 2.360 6.243 ( 6.430 0.108 0.927) 6.498 6.286 ( 5.402 -1.298 -5.710) 7.967 6.393 ( 4.376 -3.111 -0.942) 5.451 6.485 ( -3.599 0.634 6.804) 7.723 6.570 ( 2.025 -0.798 -3.682) 4.277 6.698 ( -2.060 -6.310 -1.875) 6.897 6.736 ( 1.438 -1.648 -2.698) 3.473 6.841 ( 1.044 -0.092 0.725) 1.274 6.943 ( -6.986 -1.896 -3.400) 7.998 7.143 ( -7.675 1.289 -0.703) 7.815 7.245 ( 1.501 -0.327 -1.403) 2.080 7.339 ( -0.574 4.117 -2.096) 4.656 7.383 ( -1.160 -0.412 3.631) 3.835 7.539 ( -3.566 1.880 0.791) 4.108 7.693 ( -2.997 -2.434 -1.721) 4.227 7.762 ( 0.572 -1.560 -7.671) 7.849 7.835 ( 3.279 -1.924 0.137) 3.804 7.902 ( 3.652 0.908 -2.581) 4.563 8.060 ( 5.756 0.417 -4.007) 7.026 8.203 ( -2.792 2.314 0.587) 3.673 8.386 ( 1.169 -2.352 3.565) 4.428 8.422 ( 2.797 -0.197 -1.576) 3.217 8.499 ( -1.915 0.343 -1.591) 2.514 8.643 ( -4.860 -0.617 -0.523) 4.927 8.723 ( 2.740 -1.009 0.401) 2.947 8.782 ( -1.320 -3.906 3.268) 5.261 8.853 ( 0.661 -2.348 4.112) 4.781 8.970 ( 0.028 -1.068 -1.099) 1.533 9.358 ( 4.794 2.943 4.322) 7.094 9.517 ( 2.330 6.318 -2.364) 7.137 9.651 ( 6.715 -2.187 2.827) 7.607 9.798 ( 0.386 -0.110 0.297) 0.499 9.925 ( 0.875 1.664 0.461) 1.936 9.974 ( 0.647 3.019 0.512) 3.130 10.089 ( -4.952 -1.403 2.516) 5.729 10.130 ( -3.969 -1.118 -1.832) 4.512 13.437 ( -0.786 -0.012 -0.333) 0.853 13.471 ( 0.167 1.007 0.176) 1.036 13.490 ( -3.589 -0.956 0.296) 3.726 13.561 ( -3.680 -1.054 0.221) 3.834 14.215 ( 0.123 0.620 3.912) 3.963 14.289 ( 1.800 1.342 -1.329) 2.609 14.412 ( 0.602 -4.029 1.969) 4.525 14.494 ( -0.105 -4.773 -1.592) 5.032 14.520 ( -0.638 0.330 4.286) 4.345 14.551 ( -1.924 -1.872 1.212) 2.946 14.647 ( -3.599 2.317 -2.606) 5.011 14.720 ( -4.779 0.351 -1.954) 5.175 14.969 ( 0.401 1.920 1.992) 2.795 14.985 ( 2.295 2.937 -1.737) 4.112 15.194 ( 3.533 -1.312 -1.276) 3.979 15.254 ( 0.021 -2.619 -0.536) 2.674 15.405 ( 3.117 -0.148 3.974) 5.053 15.511 ( 5.634 -3.003 0.287) 6.391 15.569 ( -1.484 1.166 3.296) 3.798 15.703 ( 2.100 -4.347 -0.358) 4.841 15.866 ( 3.165 3.450 -4.516) 6.505 15.968 ( 3.050 4.519 -0.610) 5.486 16.007 ( 0.764 2.901 0.609) 3.061 16.086 ( 3.901 5.784 1.457) 7.127 16.147 ( -5.733 0.794 1.597) 6.004 16.329 ( -3.415 6.142 -0.052) 7.027 16.526 ( -0.376 0.137 -0.118) 0.418 16.584 ( -1.653 2.102 -1.008) 2.858 16.974 ( 12.063 1.563 0.316) 12.168 17.286 ( 15.249 -1.246 -7.403) 16.997 17.614 ( -12.950 -6.766 -3.870) 15.115 17.698 ( -10.135 -5.326 2.697) 11.763 21.025 ( 0.619 5.202 0.356) 5.251 21.057 ( 0.265 7.435 -1.565) 7.603 21.372 ( 4.494 -1.572 4.258) 6.387 21.450 ( 1.684 -1.704 -1.755) 2.970 21.488 ( -0.638 2.808 0.251) 2.891 21.579 ( 1.266 1.496 -1.845) 2.692 21.721 ( -6.139 -2.164 -0.174) 6.511 21.747 ( -7.481 -1.128 4.058) 8.585 22.242 ( 1.338 0.008 0.558) 1.449 22.281 ( 1.841 0.994 0.608) 2.178 22.361 ( -1.670 -0.436 -0.375) 1.766 22.440 ( -1.059 -0.794 -2.988) 3.268 22.670 ( -0.016 1.019 8.909) 8.967 22.821 ( 2.507 -1.077 -6.256) 6.825 22.909 ( -2.054 1.217 3.673) 4.381 23.030 ( -4.422 -2.111 -4.903) 6.932 23.665 ( 7.271 -3.150 -1.990) 8.170 23.725 ( 4.844 -3.488 -1.101) 6.070 24.011 ( -2.923 -1.521 2.883) 4.378 24.098 ( -5.114 -1.759 0.322) 5.418 24.256 ( 1.739 0.431 0.139) 1.797 24.286 ( 1.960 0.850 -1.308) 2.505 24.343 ( -2.405 2.744 1.649) 4.004 24.356 ( -0.456 1.380 -0.370) 1.500 24.442 ( 1.952 0.605 1.792) 2.718 24.531 ( -0.083 1.139 -0.549) 1.267 24.611 ( -5.342 -1.349 3.764) 6.672 24.636 ( -5.604 -0.949 -2.421) 6.178 25.170 ( 2.425 0.512 2.846) 3.774 25.229 ( 4.274 -0.618 1.068) 4.448 25.258 ( 3.681 1.195 -2.238) 4.471 25.417 ( 2.409 -2.419 -6.091) 6.983 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -9.454 6.705 0.047) 11.590 1.389 ( 3.778 8.096 -7.238) 11.498 1.620 ( 1.111 0.860 1.597) 2.127 1.657 ( 4.645 -0.015 -3.290) 5.692 1.983 ( 1.460 -3.930 0.457) 4.217 1.990 ( -4.318 0.621 0.804) 4.436 2.038 ( 1.943 0.248 0.182) 1.967 2.052 ( -1.235 -1.471 -0.772) 2.070 2.284 ( 6.792 -0.255 -0.489) 6.814 2.353 ( -5.879 0.702 -4.436) 7.398 2.394 ( -6.590 -2.642 1.739) 7.309 2.459 ( 1.532 -0.021 4.538) 4.790 2.483 ( 4.149 -0.627 -4.662) 6.273 2.536 ( -3.885 -0.945 2.159) 4.544 2.658 ( 4.138 1.790 -5.236) 6.910 2.672 ( -0.292 1.417 -4.573) 4.796 2.833 ( -1.233 -0.712 2.515) 2.890 2.904 ( 1.301 -2.389 -2.114) 3.445 2.929 ( 5.298 -3.050 0.478) 6.132 2.965 ( -5.986 -2.770 -1.721) 6.816 3.127 ( 2.007 2.066 1.487) 3.241 3.152 ( -1.759 -0.746 -0.399) 1.952 3.295 ( 0.852 5.643 5.930) 8.230 3.345 ( 3.936 3.217 4.851) 7.027 3.409 ( -1.179 -1.036 0.606) 1.682 3.498 ( -1.838 2.179 -5.011) 5.765 3.555 ( -5.001 2.120 -1.259) 5.575 3.587 ( 2.358 0.493 -2.626) 3.563 3.735 ( 6.289 1.584 5.661) 8.609 3.752 ( 1.000 1.303 2.993) 3.414 3.896 ( -3.740 1.073 8.094) 8.980 3.954 ( -1.949 0.663 2.139) 2.969 4.090 ( 1.050 8.950 0.362) 9.019 4.183 ( 1.773 4.792 -2.584) 5.726 4.237 ( -4.165 6.154 -0.463) 7.445 4.279 ( 0.858 1.070 -2.022) 2.443 4.464 ( -1.294 2.776 4.339) 5.311 4.597 ( 0.200 -1.449 2.955) 3.297 4.676 ( 1.324 0.897 -4.936) 5.189 4.772 ( -1.765 -3.380 5.308) 6.536 4.802 ( -0.626 -3.024 -1.829) 3.589 4.913 ( 1.986 -4.899 7.551) 9.218 4.948 ( 2.042 -4.474 -2.649) 5.586 5.061 ( 0.138 -2.835 2.282) 3.642 5.111 ( 0.830 1.901 4.865) 5.289 5.191 ( -0.091 0.297 -4.371) 4.382 5.249 ( -1.075 -3.379 3.613) 5.063 5.341 ( -2.744 0.776 0.111) 2.853 5.373 ( -0.683 1.696 1.670) 2.476 5.526 ( 1.837 -2.970 -6.276) 7.182 5.571 ( 2.053 2.309 -1.930) 3.643 5.638 ( -2.880 0.949 -5.329) 6.131 5.819 ( 0.805 3.306 0.413) 3.427 5.825 ( 1.019 -2.548 4.531) 5.297 6.007 ( 5.181 -8.255 3.342) 10.304 6.084 ( -5.069 -2.710 -4.376) 7.224 6.289 ( -3.795 1.739 4.095) 5.848 6.364 ( -0.621 -2.505 -1.688) 3.084 6.409 ( 0.294 1.780 3.724) 4.138 6.516 ( 5.920 -1.127 -3.288) 6.865 6.602 ( 2.389 -1.987 -1.771) 3.576 6.635 ( -3.965 -5.924 -2.821) 7.667 6.784 ( 1.625 -2.979 -2.028) 3.953 6.810 ( -3.897 -1.460 -4.537) 6.156 6.989 ( -3.005 1.352 -2.417) 4.087 7.000 ( 8.123 2.708 -3.198) 9.140 7.267 ( 1.018 3.972 0.789) 4.176 7.316 ( -1.628 2.411 -1.056) 3.095 7.365 ( -3.707 4.594 6.117) 8.501 7.477 ( 1.283 -1.767 -1.742) 2.793 7.667 ( 0.004 -4.692 -0.967) 4.791 7.763 ( -0.333 0.066 -9.884) 9.890 7.870 ( 0.326 0.866 1.804) 2.027 7.931 ( -0.137 1.567 -3.135) 3.508 8.107 ( -5.588 3.561 3.305) 7.405 8.182 ( 4.626 -1.772 -4.121) 6.444 8.387 ( -1.291 -1.606 5.044) 5.449 8.463 ( 1.330 -0.846 -0.632) 1.698 8.513 ( -4.623 -0.682 -0.461) 4.696 8.534 ( 2.217 -2.320 -1.678) 3.621 8.711 ( -1.536 -3.715 5.600) 6.893 8.805 ( 2.071 -2.244 -1.223) 3.290 8.911 ( 3.068 -1.978 0.559) 3.693 8.966 ( 0.185 -1.913 -2.823) 3.416 9.436 ( 1.828 3.660 5.593) 6.930 9.523 ( -1.573 2.807 -2.170) 3.881 9.709 ( -3.085 -0.558 5.421) 6.262 9.790 ( 2.330 -1.292 -1.469) 3.042 9.950 ( 0.923 2.074 3.302) 4.007 10.005 ( -1.397 0.754 2.849) 3.261 10.012 ( -0.472 0.863 -1.506) 1.799 10.078 ( 0.653 -0.407 -2.805) 2.908 13.437 ( -1.178 -0.418 0.031) 1.250 13.441 ( 0.855 -0.503 -0.282) 1.032 13.496 ( 2.149 0.011 0.441) 2.194 13.504 ( -1.607 -0.078 -0.255) 1.629 14.227 ( 0.957 0.699 4.624) 4.773 14.299 ( -0.787 0.236 -2.081) 2.237 14.425 ( 0.740 -3.804 1.949) 4.338 14.459 ( -1.626 -3.187 -0.704) 3.646 14.523 ( 1.340 -0.065 3.711) 3.946 14.585 ( 3.307 -0.137 1.920) 3.826 14.598 ( -1.692 0.512 -2.493) 3.057 14.642 ( -2.906 0.529 -2.613) 3.944 14.960 ( -0.902 2.401 2.512) 3.590 15.023 ( 1.546 2.970 -3.178) 4.616 15.223 ( -1.814 -3.164 1.025) 3.789 15.254 ( 0.839 -1.258 -1.593) 2.197 15.489 ( 3.334 -0.998 1.295) 3.714 15.535 ( 0.494 -0.315 -2.606) 2.671 15.578 ( -0.650 -2.167 5.497) 5.944 15.694 ( -1.179 -3.438 -4.518) 5.798 15.898 ( -3.629 3.952 7.112) 8.909 16.000 ( -1.376 3.262 2.385) 4.269 16.048 ( -2.358 3.433 -4.063) 5.819 16.055 ( 4.556 1.779 -3.244) 5.868 16.187 ( 4.022 8.025 1.977) 9.192 16.250 ( -0.418 7.697 -2.819) 8.208 16.510 ( -1.327 2.351 2.950) 3.999 16.559 ( -0.232 1.155 -1.117) 1.623 17.237 ( 12.197 -2.559 2.773) 12.767 17.334 ( -14.380 -3.932 -6.138) 16.122 17.470 ( -12.128 -3.979 2.595) 13.025 17.566 ( 12.992 -6.378 -5.534) 15.495 21.032 ( 0.009 5.646 0.704) 5.689 21.056 ( -0.301 7.065 -1.353) 7.200 21.425 ( -0.210 -0.140 3.251) 3.261 21.472 ( -0.095 1.742 -0.291) 1.768 21.498 ( 0.872 -3.900 2.506) 4.717 21.569 ( -0.382 -0.624 -2.205) 2.323 21.617 ( -4.564 0.156 4.166) 6.181 21.717 ( 5.243 -0.723 -3.807) 6.519 22.262 ( 0.550 -0.655 1.153) 1.436 22.288 ( -0.603 -0.568 -1.192) 1.452 22.362 ( 1.695 1.222 1.086) 2.355 22.416 ( -1.218 -0.006 -3.644) 3.842 22.674 ( 0.343 0.969 9.274) 9.330 22.852 ( -0.200 -2.508 -3.997) 4.723 22.894 ( 0.360 1.015 -0.067) 1.079 22.978 ( -0.210 -0.642 -4.675) 4.723 23.737 ( -2.440 -0.631 1.767) 3.078 23.785 ( 1.532 -1.491 -2.933) 3.629 24.006 ( 2.036 -2.722 0.376) 3.420 24.017 ( -0.113 -2.967 -0.475) 3.006 24.278 ( -0.269 0.650 1.400) 1.567 24.304 ( -1.271 0.186 -1.264) 1.802 24.327 ( 0.594 1.569 0.201) 1.689 24.336 ( 0.837 1.884 -0.736) 2.189 24.478 ( 1.714 0.630 2.899) 3.426 24.521 ( -2.386 -0.284 0.308) 2.423 24.539 ( -2.141 -0.150 2.260) 3.116 24.589 ( 1.963 -1.312 -1.418) 2.754 25.191 ( -0.304 1.126 3.318) 3.517 25.287 ( 1.387 -0.463 -1.863) 2.368 25.310 ( 1.443 -0.109 0.149) 1.454 25.409 ( -2.780 -1.736 -5.174) 6.125 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -10.034 7.404 10.192) 16.105 1.401 ( -0.715 7.277 -10.823) 13.062 1.550 ( -9.741 6.175 7.567) 13.794 1.758 ( 0.118 -3.463 -11.614) 12.120 1.938 ( -2.193 0.862 2.887) 3.726 2.021 ( 4.388 -2.748 1.939) 5.529 2.090 ( 3.635 -4.533 0.491) 5.831 2.150 ( 2.578 -1.182 -2.253) 3.622 2.210 ( 1.186 -1.562 -1.209) 2.303 2.308 ( -3.107 0.963 -6.222) 7.021 2.439 ( 7.381 -2.099 2.945) 8.219 2.491 ( -0.575 -0.070 1.117) 1.259 2.514 ( 1.387 -1.443 4.642) 5.055 2.563 ( 1.617 -2.551 -1.505) 3.374 2.661 ( -0.769 1.489 0.736) 1.830 2.704 ( -8.725 4.578 1.439) 9.958 2.767 ( 4.208 -3.117 -8.161) 9.697 2.833 ( -0.019 2.125 1.947) 2.882 2.933 ( -2.113 0.337 0.062) 2.141 2.995 ( -6.147 -2.939 -0.418) 6.827 3.021 ( -2.419 -2.602 5.477) 6.528 3.102 ( -2.853 4.701 -0.625) 5.534 3.240 ( 1.469 3.243 1.820) 3.999 3.264 ( -7.474 1.634 -3.963) 8.616 3.366 ( -4.856 1.054 -3.729) 6.212 3.449 ( 0.952 2.581 -2.632) 3.807 3.598 ( 0.266 -1.854 2.956) 3.499 3.688 ( 5.192 -1.814 2.030) 5.863 3.749 ( 0.568 -0.437 0.137) 0.730 3.822 ( 1.976 -0.135 5.685) 6.020 3.929 ( 4.892 3.042 1.626) 5.985 4.002 ( 0.111 6.630 -5.094) 8.362 4.109 ( -4.445 4.025 1.770) 6.253 4.173 ( -1.207 5.085 4.796) 7.094 4.195 ( 9.333 4.578 0.657) 10.416 4.324 ( 4.055 3.365 -1.872) 5.592 4.391 ( -4.668 3.850 4.476) 7.526 4.611 ( -9.630 -5.332 10.206) 15.011 4.670 ( 4.657 -0.187 1.917) 5.039 4.706 ( 1.106 0.858 -1.857) 2.325 4.866 ( 1.970 -3.962 -2.571) 5.117 4.905 ( 0.210 3.054 -0.156) 3.065 4.998 ( 0.893 -9.031 -2.863) 9.516 5.041 ( -1.558 -1.286 -2.738) 3.403 5.157 ( 2.208 1.976 3.750) 4.779 5.231 ( 3.517 -2.870 -1.234) 4.704 5.296 ( 4.842 -0.299 3.165) 5.792 5.344 ( 2.853 4.418 2.461) 5.806 5.391 ( 1.782 -0.690 2.996) 3.553 5.457 ( -3.736 1.767 2.131) 4.650 5.622 ( -0.729 -2.008 -1.424) 2.567 5.667 ( 4.446 2.808 -7.339) 9.029 5.775 ( -1.397 -4.066 0.307) 4.310 5.869 ( -1.235 -0.577 2.673) 3.001 5.972 ( -3.198 1.901 -5.909) 6.983 6.113 ( 3.600 -8.084 1.081) 8.915 6.170 ( -6.742 0.357 3.265) 7.500 6.280 ( -5.621 -1.339 2.245) 6.199 6.390 ( -2.559 -4.800 -4.067) 6.792 6.511 ( -6.787 -3.513 0.221) 7.645 6.605 ( -0.208 -3.619 -1.965) 4.123 6.679 ( 5.057 3.441 -3.221) 6.913 6.767 ( 3.454 -0.791 -4.078) 5.402 6.887 ( 7.222 -1.667 0.743) 7.449 6.958 ( 1.840 -1.299 -6.741) 7.108 7.135 ( -1.476 -2.950 -0.261) 3.309 7.228 ( -1.660 2.657 0.532) 3.178 7.314 ( 3.763 2.758 0.306) 4.675 7.378 ( 3.828 4.802 2.386) 6.588 7.536 ( 2.761 2.660 1.664) 4.180 7.678 ( 0.754 -4.506 0.674) 4.618 7.753 ( -0.290 1.011 -9.904) 9.960 7.830 ( -5.191 -2.474 2.619) 6.318 7.900 ( -3.038 0.909 -2.609) 4.107 8.018 ( -1.765 1.189 0.332) 2.154 8.214 ( -2.022 -3.524 -1.379) 4.291 8.341 ( -3.443 0.198 4.414) 5.601 8.411 ( -2.205 -0.585 1.989) 3.027 8.507 ( 2.561 1.259 -1.814) 3.381 8.616 ( 2.647 2.249 1.948) 3.983 8.697 ( 0.808 -5.762 1.376) 5.979 8.838 ( 1.126 -3.716 0.113) 3.885 8.947 ( 0.821 -2.318 -2.566) 3.554 8.991 ( 2.722 -1.861 -4.693) 5.736 9.373 ( -7.383 5.083 3.720) 9.705 9.495 ( -1.458 5.414 -1.275) 5.750 9.641 ( -3.917 -1.334 4.334) 5.992 9.775 ( -4.256 -0.221 1.683) 4.582 9.938 ( -0.938 1.520 -0.735) 1.931 9.985 ( -0.077 2.456 -0.049) 2.458 10.069 ( 5.681 -0.633 3.056) 6.482 10.137 ( 3.744 -1.751 -1.440) 4.377 13.430 ( 0.631 0.349 0.254) 0.765 13.469 ( 0.946 0.154 0.177) 0.974 13.507 ( 2.741 -0.278 -0.984) 2.925 13.561 ( 3.850 -0.968 0.286) 3.980 14.241 ( 0.036 0.633 2.594) 2.670 14.274 ( -1.380 0.239 -1.067) 1.761 14.432 ( -0.581 -3.535 1.524) 3.894 14.457 ( 1.639 -4.702 0.671) 5.025 14.553 ( 0.398 -0.303 2.795) 2.840 14.583 ( 1.635 0.815 0.889) 2.031 14.618 ( 1.171 0.536 -4.022) 4.224 14.665 ( 4.509 -0.129 2.315) 5.070 14.941 ( -1.090 1.811 1.317) 2.491 15.036 ( -0.799 1.341 -2.934) 3.323 15.181 ( -1.878 -1.300 -0.424) 2.323 15.229 ( -2.791 0.144 1.530) 3.187 15.469 ( -7.381 -3.016 3.492) 8.705 15.525 ( 1.938 -4.207 -4.828) 6.691 15.619 ( 3.924 -0.285 -1.812) 4.331 15.682 ( 0.284 1.333 1.909) 2.346 15.769 ( -8.655 2.671 3.841) 9.838 15.930 ( -2.913 6.532 1.837) 7.385 16.023 ( -1.073 0.254 -0.027) 1.103 16.083 ( -2.932 5.885 -0.746) 6.617 16.250 ( 5.870 0.151 -4.751) 7.553 16.347 ( 4.196 4.464 -1.666) 6.349 16.486 ( -0.875 2.217 2.281) 3.299 16.565 ( 0.231 1.127 1.497) 1.888 17.025 ( -14.431 1.137 -4.618) 15.195 17.174 ( -13.352 2.644 2.416) 13.824 17.539 ( 12.439 -5.354 1.924) 13.678 17.785 ( 9.440 -8.013 -4.072) 13.035 21.025 ( -0.575 5.653 0.548) 5.709 21.047 ( -0.608 6.322 -0.871) 6.410 21.380 ( -3.823 -1.525 3.850) 5.636 21.437 ( -3.885 -2.549 0.885) 4.730 21.486 ( 1.410 2.201 -0.641) 2.692 21.546 ( -0.975 4.173 -0.567) 4.323 21.689 ( 7.456 -2.327 2.176) 8.108 21.848 ( 7.586 -1.746 -3.578) 8.567 22.249 ( -1.447 -0.065 0.477) 1.525 22.289 ( -0.015 -1.455 -0.586) 1.568 22.382 ( -0.617 0.621 -1.795) 1.997 22.414 ( 1.918 1.324 -0.977) 2.527 22.676 ( -0.694 0.799 6.122) 6.213 22.822 ( -1.983 -2.886 -2.671) 4.404 22.921 ( 2.971 0.886 2.169) 3.783 23.028 ( 4.988 -1.024 -5.776) 7.700 23.635 ( -6.630 -2.314 0.654) 7.052 23.727 ( -6.134 -4.155 -1.726) 7.607 24.070 ( 5.359 -1.555 -2.102) 5.963 24.101 ( 4.661 -1.508 0.292) 4.908 24.251 ( -3.133 -0.041 0.536) 3.179 24.258 ( -1.218 0.080 0.987) 1.569 24.345 ( -0.228 1.109 0.155) 1.143 24.384 ( 3.240 2.438 -1.551) 4.342 24.461 ( -2.251 0.444 1.027) 2.514 24.505 ( 0.058 1.950 1.080) 2.230 24.558 ( 5.024 -0.057 4.617) 6.823 24.666 ( 5.314 -1.566 -1.361) 5.705 25.163 ( -2.474 1.398 2.635) 3.875 25.272 ( -3.068 -0.735 -4.380) 5.398 25.300 ( -3.083 -1.060 1.214) 3.478 25.326 ( -4.849 -0.723 -2.916) 5.705 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -1.506 9.586 17.443) 19.961 1.300 ( -13.774 5.786 12.908) 19.744 1.353 ( -5.058 9.183 -12.138) 16.039 1.664 ( -6.912 -2.273 -15.137) 16.795 1.879 ( -3.302 -3.760 7.198) 8.767 2.009 ( -3.488 -0.225 3.953) 5.276 2.103 ( -0.010 -3.517 -7.992) 8.732 2.232 ( -2.442 5.383 2.521) 6.426 2.243 ( 3.215 -3.582 -5.595) 7.381 2.315 ( 5.077 -1.221 2.607) 5.837 2.418 ( -3.863 1.039 5.563) 6.852 2.526 ( -5.502 -4.620 4.804) 8.642 2.545 ( 5.411 -0.068 5.781) 7.919 2.591 ( 6.641 -6.466 -2.032) 9.489 2.641 ( 1.522 -3.051 -2.018) 3.962 2.721 ( 3.401 0.524 0.924) 3.563 2.773 ( -0.413 -2.520 0.140) 2.557 2.859 ( 1.155 -0.881 -0.429) 1.514 2.940 ( -0.554 -0.156 -6.297) 6.324 2.979 ( -0.173 0.231 4.804) 4.813 2.991 ( 6.776 2.053 -2.207) 7.416 3.104 ( 0.669 5.689 -1.853) 6.020 3.146 ( -2.906 0.965 -7.301) 7.917 3.196 ( -8.018 2.024 -4.376) 9.356 3.306 ( 0.843 2.140 -2.162) 3.157 3.448 ( -1.727 3.675 1.650) 4.383 3.609 ( 0.553 -0.436 3.862) 3.925 3.685 ( -1.924 -3.250 2.534) 4.548 3.811 ( 2.996 2.487 -1.028) 4.027 3.868 ( 1.062 -0.988 2.855) 3.202 3.938 ( -1.676 2.756 -2.512) 4.089 3.967 ( -1.731 7.335 -5.351) 9.243 4.115 ( 0.373 1.849 9.314) 9.503 4.136 ( 0.059 2.164 -1.252) 2.501 4.324 ( 0.555 4.121 4.561) 6.172 4.351 ( 4.693 3.045 -3.493) 6.595 4.435 ( -2.209 -6.088 10.332) 12.194 4.505 ( 5.893 3.499 7.983) 10.521 4.694 ( -0.917 2.195 2.988) 3.819 4.744 ( 1.946 1.324 1.394) 2.736 4.847 ( -2.457 0.126 -2.221) 3.314 4.919 ( -5.282 -5.250 -10.898) 13.200 4.977 ( 3.291 3.847 -3.145) 5.960 5.041 ( 0.766 -0.618 -1.667) 1.935 5.180 ( 0.111 -2.712 1.905) 3.316 5.235 ( -3.851 0.213 1.457) 4.123 5.379 ( 3.910 1.546 1.980) 4.648 5.414 ( 2.565 0.315 2.800) 3.810 5.441 ( 1.488 0.428 5.441) 5.657 5.450 ( 4.250 1.303 1.024) 4.562 5.626 ( 0.907 -0.866 2.449) 2.751 5.679 ( -0.548 3.721 0.299) 3.773 5.787 ( -3.402 -1.905 -4.021) 5.601 5.809 ( 2.152 -4.814 -6.005) 7.991 5.973 ( 0.771 1.399 2.208) 2.726 6.003 ( -7.518 2.245 -2.258) 8.165 6.143 ( -2.180 -1.861 -5.578) 6.271 6.201 ( -2.763 -2.898 -0.660) 4.058 6.352 ( -2.974 -7.902 5.648) 10.158 6.401 ( -0.439 -5.455 -7.139) 8.996 6.615 ( 1.591 -3.341 0.599) 3.749 6.746 ( 1.586 4.085 -2.834) 5.218 6.906 ( 8.544 -2.752 -3.430) 9.610 6.976 ( 2.228 -2.378 -0.424) 3.287 7.024 ( -2.110 -5.950 1.189) 6.424 7.090 ( 4.995 -2.012 -2.896) 6.114 7.218 ( 0.488 0.300 2.747) 2.806 7.383 ( 1.266 1.496 -2.041) 2.830 7.462 ( 4.330 4.162 0.951) 6.080 7.555 ( -1.316 4.959 3.358) 6.132 7.677 ( -1.901 -1.859 5.788) 6.370 7.713 ( -4.146 -5.756 -1.937) 7.354 7.731 ( -2.904 0.644 -5.627) 6.365 7.828 ( -1.995 -0.435 -5.706) 6.060 8.051 ( 3.693 -3.626 -2.076) 5.576 8.134 ( -4.891 -3.494 1.097) 6.110 8.290 ( -1.084 2.429 4.784) 5.474 8.389 ( -0.843 0.383 0.571) 1.088 8.560 ( 2.126 1.573 0.375) 2.671 8.616 ( -1.231 1.627 1.492) 2.528 8.753 ( 3.721 -2.691 -1.062) 4.713 8.838 ( -1.062 -4.820 0.373) 4.950 8.951 ( 0.523 -0.307 -4.485) 4.525 9.072 ( 2.320 -1.248 -4.013) 4.801 9.224 ( -4.296 5.610 3.986) 8.113 9.478 ( 0.343 8.675 -0.524) 8.697 9.516 ( -8.950 -1.518 1.408) 9.187 9.664 ( -6.385 3.932 -0.030) 7.499 9.941 ( 1.252 1.555 1.572) 2.541 9.998 ( 0.622 1.724 0.303) 1.858 10.172 ( 4.099 -2.070 1.620) 4.870 10.202 ( 2.684 -2.918 -0.578) 4.006 13.453 ( 1.425 1.104 0.384) 1.843 13.485 ( 0.718 1.442 -0.479) 1.681 13.581 ( 4.021 -1.367 -0.597) 4.288 13.627 ( 2.362 -1.694 0.354) 2.928 14.233 ( -0.382 0.658 -0.262) 0.804 14.245 ( -1.627 0.737 0.331) 1.816 14.417 ( -0.871 -4.076 1.769) 4.527 14.467 ( -0.901 -5.252 -1.629) 5.572 14.571 ( 1.770 0.102 3.770) 4.166 14.649 ( 3.550 -1.965 -1.270) 4.251 14.694 ( 6.402 1.178 1.148) 6.610 14.752 ( 3.971 -0.187 1.996) 4.448 14.917 ( -1.293 0.783 -0.513) 1.597 14.980 ( -4.271 -0.516 -1.908) 4.706 15.135 ( -2.439 -0.949 0.255) 2.629 15.199 ( -1.739 0.459 0.555) 1.882 15.342 ( -2.503 0.883 3.245) 4.192 15.563 ( -2.716 -2.862 -1.014) 4.073 15.610 ( -1.824 -1.888 -2.849) 3.874 15.659 ( -0.260 -1.693 5.474) 5.736 15.734 ( 3.513 3.197 0.167) 4.752 15.896 ( -0.799 3.748 -0.974) 3.954 15.989 ( -2.622 -0.531 0.767) 2.783 16.032 ( -0.894 3.952 0.232) 4.059 16.294 ( -5.794 -2.278 -1.579) 6.423 16.340 ( -0.989 -1.093 -4.617) 4.847 16.488 ( 0.700 2.192 1.862) 2.960 16.556 ( -1.341 -2.068 2.030) 3.193 16.831 ( -4.071 11.817 -0.949) 12.535 16.961 ( -7.357 12.244 -1.497) 14.362 17.748 ( 8.387 -6.179 3.284) 10.922 17.923 ( 4.541 -8.603 -3.769) 10.432 21.016 ( -0.299 5.484 0.377) 5.505 21.035 ( -0.487 5.725 -0.918) 5.819 21.308 ( -3.096 -1.479 4.710) 5.827 21.379 ( -1.869 -2.295 -2.187) 3.680 21.521 ( 1.738 3.815 -0.557) 4.229 21.540 ( 0.092 6.007 -0.260) 6.013 21.831 ( 6.557 -2.721 3.444) 7.890 21.993 ( 6.846 -2.478 -4.509) 8.564 22.215 ( -2.006 0.775 0.271) 2.168 22.249 ( -4.184 -0.288 -1.402) 4.422 22.387 ( 1.338 -0.546 0.450) 1.514 22.451 ( 1.414 0.623 -1.639) 2.253 22.652 ( -1.318 1.123 3.907) 4.273 22.786 ( -1.586 -1.897 -4.533) 5.164 23.030 ( 7.851 -0.260 5.325) 9.490 23.149 ( 6.627 -2.298 -5.395) 8.849 23.506 ( -6.287 -5.579 -0.637) 8.429 23.584 ( -8.083 -5.655 -1.767) 10.022 24.150 ( 0.956 -0.414 -1.017) 1.456 24.156 ( 0.179 -0.326 -0.597) 0.703 24.209 ( 0.539 0.050 1.357) 1.461 24.253 ( 1.663 -1.324 0.651) 2.224 24.318 ( -2.187 0.419 0.494) 2.281 24.374 ( -2.999 -0.900 0.235) 3.140 24.479 ( 2.217 3.489 1.350) 4.349 24.516 ( 1.057 3.462 -0.217) 3.626 24.723 ( 11.177 0.341 3.101) 11.604 24.785 ( 6.570 -0.463 -0.524) 6.607 25.110 ( -2.538 1.092 1.397) 3.096 25.168 ( -7.138 -0.296 -3.546) 7.976 25.203 ( -5.083 -0.840 -2.124) 5.573 25.229 ( -5.972 -0.130 1.488) 6.156 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 1.793 13.750 8.459) 16.243 1.307 ( -2.176 12.603 5.625) 13.972 1.442 ( 1.418 -0.115 -5.532) 5.712 1.528 ( 0.428 -7.056 -11.519) 13.516 1.845 ( 1.119 4.227 2.262) 4.923 1.958 ( -1.952 2.590 -3.525) 4.790 2.014 ( 5.745 -9.271 -6.247) 12.569 2.080 ( -1.220 -7.549 -7.716) 10.864 2.260 ( -2.207 -2.738 2.309) 4.207 2.318 ( 2.960 -6.002 0.142) 6.694 2.384 ( 2.689 0.586 4.596) 5.357 2.398 ( -6.671 3.940 -1.136) 7.830 2.451 ( 4.467 -6.467 2.248) 8.175 2.513 ( -3.774 -6.561 -4.633) 8.875 2.656 ( 0.849 -1.947 -3.731) 4.293 2.671 ( 2.335 -2.673 -3.717) 5.139 2.876 ( 2.283 7.598 5.126) 9.445 2.934 ( 0.604 0.253 4.062) 4.114 3.006 ( -2.384 3.680 -5.808) 7.277 3.018 ( -2.339 3.919 6.362) 7.830 3.046 ( -4.217 2.121 -2.237) 5.223 3.138 ( -4.730 -2.154 3.012) 6.007 3.209 ( -0.119 13.690 9.298) 16.550 3.312 ( -2.726 5.651 -0.648) 6.307 3.382 ( 8.926 2.660 -3.864) 10.084 3.422 ( 0.071 -2.831 -4.881) 5.643 3.607 ( -1.406 -1.946 4.564) 5.157 3.618 ( 3.992 -4.327 6.076) 8.460 3.861 ( -4.804 1.255 5.441) 7.366 3.899 ( 1.103 3.174 6.207) 7.058 3.924 ( -3.522 -3.304 12.936) 13.808 4.032 ( 6.962 -2.659 -2.013) 7.720 4.131 ( -2.137 -3.483 3.962) 5.692 4.148 ( 2.900 3.648 -4.498) 6.477 4.223 ( -1.522 3.407 -8.244) 9.049 4.449 ( 2.443 -13.977 -14.020) 19.947 4.511 ( -1.065 8.441 7.481) 11.329 4.614 ( 0.076 3.208 -1.406) 3.504 4.687 ( -3.023 1.863 7.718) 8.496 4.754 ( 0.470 1.104 -0.254) 1.226 4.814 ( -2.482 1.250 5.229) 5.922 4.859 ( 1.035 -0.699 2.789) 3.055 5.075 ( -3.722 3.580 2.522) 5.748 5.114 ( 2.740 1.037 0.393) 2.956 5.139 ( 3.270 -1.522 -2.075) 4.161 5.143 ( -2.153 -1.178 -0.950) 2.631 5.411 ( -1.262 2.282 0.530) 2.661 5.441 ( 1.491 -0.869 0.729) 1.874 5.480 ( 1.555 -0.905 -4.349) 4.706 5.503 ( -0.714 -2.154 -1.918) 2.971 5.685 ( -4.949 4.770 1.397) 7.014 5.728 ( -1.718 4.147 0.505) 4.518 5.781 ( 2.721 -1.604 -2.691) 4.149 5.808 ( -1.667 -3.702 -1.622) 4.372 5.888 ( 3.165 2.982 4.010) 5.915 5.982 ( 4.100 -1.279 -2.488) 4.963 6.097 ( -0.338 -0.019 2.302) 2.327 6.191 ( -0.133 1.451 -2.146) 2.594 6.208 ( 1.067 -2.947 -5.921) 6.700 6.258 ( -0.298 -6.214 -8.020) 10.150 6.577 ( 0.494 -2.157 1.911) 2.924 6.652 ( -1.311 -7.672 -4.208) 8.848 6.889 ( -3.192 5.046 1.811) 6.240 6.963 ( -0.326 -2.767 -3.397) 4.393 7.072 ( -3.502 1.669 -0.667) 3.937 7.108 ( 2.704 1.135 -2.843) 4.084 7.289 ( 5.253 -1.898 0.903) 5.658 7.303 ( -1.239 -4.146 -0.563) 4.364 7.472 ( -1.232 -1.624 2.038) 2.883 7.506 ( -1.066 -4.412 -0.754) 4.601 7.614 ( 0.284 2.691 -0.887) 2.847 7.676 ( -1.206 -1.340 -2.465) 3.054 7.728 ( 0.922 1.705 3.310) 3.836 7.774 ( 0.602 -0.921 1.217) 1.641 8.054 ( 0.304 1.834 -2.178) 2.864 8.085 ( 1.467 -1.491 -3.795) 4.333 8.354 ( 1.592 2.110 1.382) 2.983 8.388 ( 0.679 -0.837 -1.201) 1.614 8.588 ( 0.092 0.456 2.234) 2.282 8.603 ( 0.210 -0.575 0.738) 0.959 8.728 ( -1.254 -0.628 1.168) 1.825 8.759 ( 1.408 -3.095 -1.757) 3.827 9.025 ( -3.451 1.823 1.478) 4.173 9.033 ( -2.819 1.194 0.832) 3.173 9.325 ( 1.762 1.677 0.928) 2.604 9.354 ( 0.272 -1.042 -1.524) 1.867 9.659 ( -0.057 4.556 0.299) 4.567 9.679 ( 0.814 2.654 -1.429) 3.123 10.029 ( 1.038 3.746 0.996) 4.012 10.036 ( -1.370 2.871 0.236) 3.190 10.137 ( -0.582 -3.636 1.217) 3.878 10.151 ( 0.799 -4.502 -0.117) 4.574 13.519 ( 0.426 2.450 0.453) 2.527 13.527 ( -0.348 1.928 -0.248) 1.975 13.587 ( -1.535 -2.341 0.370) 2.824 13.590 ( 0.964 -2.537 -0.121) 2.717 14.247 ( -0.691 2.047 1.240) 2.491 14.273 ( 0.670 2.878 -0.946) 3.103 14.308 ( -0.615 -3.854 2.190) 4.475 14.353 ( 0.388 -4.656 -1.707) 4.974 14.604 ( -0.694 1.064 4.777) 4.943 14.638 ( -0.725 -2.225 2.437) 3.378 14.800 ( 3.060 0.131 -1.369) 3.355 14.803 ( 1.380 -0.112 -1.469) 2.019 14.900 ( -0.967 0.047 0.239) 0.998 14.903 ( -0.390 -0.212 0.042) 0.446 15.109 ( 0.821 0.357 0.569) 1.061 15.131 ( -0.507 -1.501 -1.193) 1.983 15.453 ( 0.606 0.920 2.737) 2.950 15.477 ( -3.359 -2.016 4.724) 6.137 15.489 ( -1.445 3.309 -0.277) 3.621 15.568 ( 0.978 -4.036 -1.869) 4.554 15.906 ( 4.138 5.274 1.524) 6.875 15.958 ( -2.468 5.531 -2.212) 6.448 15.989 ( 3.767 -2.242 2.951) 5.285 16.067 ( -4.743 -2.131 -2.717) 5.867 16.172 ( 2.115 -0.057 0.800) 2.262 16.207 ( -1.085 -2.195 -2.254) 3.328 16.488 ( -0.480 -0.051 1.192) 1.286 16.512 ( 1.031 -2.268 -0.743) 2.599 17.141 ( -0.527 13.924 1.289) 13.993 17.213 ( 0.438 9.724 -5.291) 11.079 17.685 ( 1.000 -6.554 2.310) 7.020 17.744 ( -0.474 -10.031 -2.750) 10.412 21.119 ( -0.486 4.310 1.051) 4.463 21.143 ( 0.718 3.109 -0.989) 3.340 21.252 ( 0.034 -0.001 2.747) 2.747 21.305 ( 0.788 -3.688 -1.684) 4.130 21.649 ( -0.047 6.360 2.257) 6.749 21.699 ( 0.219 5.224 -1.690) 5.495 21.840 ( 0.277 -2.401 1.293) 2.741 21.929 ( -2.498 -7.332 -5.955) 9.770 22.219 ( 0.029 2.019 2.124) 2.931 22.232 ( 0.612 1.013 1.125) 1.632 22.400 ( -0.070 0.350 -0.039) 0.359 22.428 ( -0.896 -1.888 -2.570) 3.313 22.686 ( 0.465 2.342 2.063) 3.156 22.734 ( 0.415 -2.145 -1.883) 2.884 23.137 ( -1.897 0.150 3.827) 4.274 23.161 ( 0.982 -2.242 2.875) 3.776 23.322 ( -0.119 -1.288 -4.726) 4.900 23.360 ( 0.759 -5.042 -6.964) 8.631 24.127 ( -1.746 0.973 1.318) 2.394 24.148 ( -0.666 -0.931 -0.513) 1.255 24.251 ( 1.611 0.529 0.808) 1.878 24.264 ( -0.263 -0.534 -0.438) 0.739 24.295 ( 1.324 0.007 0.745) 1.519 24.307 ( -0.809 -0.806 -0.285) 1.177 24.555 ( -0.493 2.497 3.256) 4.133 24.578 ( 0.257 0.315 1.374) 1.433 24.876 ( -0.104 0.212 0.354) 0.426 24.881 ( -0.138 -0.340 -0.112) 0.383 25.074 ( -0.583 0.457 -0.114) 0.749 25.086 ( -1.215 -0.604 -1.139) 1.772 25.146 ( 1.355 0.635 -0.055) 1.498 25.153 ( 1.304 -0.035 -0.664) 1.463 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 3.107 12.494 -0.552) 12.886 1.393 ( 8.485 5.468 2.041) 10.298 1.540 ( 4.316 4.191 -6.374) 8.764 1.629 ( 12.600 -2.742 -1.661) 13.001 1.834 ( -0.171 1.351 -0.597) 1.487 1.932 ( -1.733 -5.900 -5.182) 8.042 2.091 ( 2.936 -0.242 -8.755) 9.237 2.170 ( 1.578 -6.636 -8.411) 10.829 2.205 ( -2.955 0.640 6.695) 7.346 2.299 ( 0.790 -4.578 4.649) 6.573 2.359 ( 0.543 1.134 2.213) 2.545 2.442 ( 2.831 0.125 -1.406) 3.163 2.501 ( 1.656 -3.432 -5.555) 6.737 2.525 ( 2.875 -8.793 3.222) 9.796 2.609 ( -4.812 -0.386 -6.078) 7.762 2.665 ( -1.524 -4.372 -3.640) 5.890 2.836 ( -4.341 3.165 5.843) 7.938 2.877 ( -4.047 -1.191 3.325) 5.371 2.927 ( -4.037 2.991 -0.842) 5.094 2.954 ( -4.685 0.718 -3.644) 5.979 3.078 ( 9.102 9.715 6.740) 14.921 3.175 ( 5.420 1.837 2.373) 6.195 3.191 ( 0.573 8.600 4.796) 9.863 3.274 ( -1.984 3.881 -1.744) 4.695 3.405 ( -2.306 1.941 -0.458) 3.049 3.506 ( -1.245 -4.349 4.568) 6.429 3.574 ( 2.100 4.422 -2.171) 5.355 3.703 ( 2.935 -5.102 3.399) 6.797 3.742 ( -5.117 -0.535 5.103) 7.247 3.819 ( -1.445 -3.790 8.791) 9.682 3.998 ( 2.298 3.751 7.998) 9.128 4.088 ( -0.161 0.872 5.905) 5.971 4.168 ( 2.603 9.782 -11.891) 15.616 4.224 ( 3.837 1.519 -4.683) 6.242 4.281 ( 8.829 -4.766 1.191) 10.103 4.402 ( -5.351 -2.757 -2.209) 6.412 4.501 ( -3.471 3.008 3.217) 5.608 4.560 ( -1.598 0.185 -4.095) 4.399 4.655 ( -0.083 -4.136 0.165) 4.140 4.690 ( -3.994 -3.460 3.048) 6.100 4.805 ( -0.402 3.138 3.281) 4.558 4.868 ( -0.777 -0.745 2.147) 2.402 4.973 ( -6.811 3.027 2.967) 8.022 5.043 ( -4.136 -2.082 0.272) 4.638 5.214 ( 3.110 1.783 2.259) 4.237 5.249 ( 2.444 -2.246 2.336) 4.059 5.354 ( -1.343 4.630 0.825) 4.891 5.436 ( -4.093 -2.833 -2.555) 5.595 5.456 ( -2.064 -1.042 0.831) 2.457 5.495 ( 2.112 -1.912 -1.691) 3.313 5.573 ( -4.136 3.558 1.899) 5.777 5.646 ( -6.310 -3.074 -0.647) 7.049 5.760 ( -0.609 1.996 1.347) 2.484 5.833 ( 2.308 -2.847 -1.727) 4.052 6.060 ( -1.680 9.152 -3.025) 9.785 6.068 ( 10.552 4.140 -0.032) 11.335 6.142 ( 6.625 -1.391 -0.498) 6.788 6.155 ( -1.209 -1.701 -7.603) 7.884 6.216 ( 2.345 -2.932 -3.786) 5.332 6.326 ( 5.090 -10.754 -5.599) 13.149 6.552 ( -2.179 -0.308 0.913) 2.382 6.629 ( -1.663 -5.880 -2.741) 6.697 6.829 ( -2.599 5.588 1.999) 6.479 6.880 ( -5.760 -0.527 -0.687) 5.824 7.017 ( -3.218 -0.434 -1.526) 3.588 7.098 ( 0.041 -5.188 -3.061) 6.024 7.306 ( -1.478 2.641 -0.366) 3.049 7.363 ( -0.025 -2.010 2.627) 3.308 7.462 ( 0.724 3.417 1.294) 3.725 7.551 ( 4.594 -5.338 -0.206) 7.046 7.653 ( 2.563 -1.066 -0.913) 2.922 7.681 ( 1.932 -1.535 -4.713) 5.320 7.740 ( 0.987 2.208 2.836) 3.727 7.795 ( 2.278 -1.474 -0.708) 2.804 8.058 ( 0.419 2.917 -3.492) 4.570 8.126 ( 1.912 -3.910 -3.529) 5.603 8.382 ( 0.978 1.608 -0.435) 1.932 8.400 ( 0.967 0.187 -1.083) 1.464 8.601 ( 0.130 0.965 1.975) 2.202 8.631 ( 1.821 -1.621 -0.561) 2.501 8.713 ( 0.071 1.913 1.362) 2.349 8.772 ( -1.561 -1.909 0.578) 2.533 8.889 ( -5.320 1.167 1.166) 5.570 8.940 ( -5.998 -2.547 3.502) 7.398 9.368 ( 3.673 4.697 1.234) 6.088 9.452 ( 5.304 -3.472 1.731) 6.571 9.657 ( 0.944 6.552 -1.172) 6.723 9.732 ( 3.358 -0.612 -1.697) 3.812 9.998 ( -2.153 3.257 0.490) 3.935 10.035 ( -0.462 1.870 1.237) 2.289 10.109 ( -2.120 -2.287 0.856) 3.234 10.142 ( -1.594 -3.474 -0.017) 3.822 13.487 ( -2.490 1.592 0.066) 2.956 13.516 ( -1.609 0.844 -0.145) 1.823 13.536 ( -2.944 -0.421 0.771) 3.072 13.580 ( -1.883 -2.621 0.346) 3.246 14.243 ( 0.157 2.328 1.750) 2.917 14.297 ( 1.745 2.939 -0.752) 3.499 14.309 ( 0.561 -3.983 1.791) 4.403 14.374 ( 1.602 -4.438 -1.589) 4.978 14.556 ( -3.173 0.516 4.365) 5.421 14.580 ( -4.122 -1.834 2.496) 5.157 14.773 ( -3.718 1.551 -2.198) 4.589 14.799 ( -3.141 -0.876 -2.417) 4.059 14.949 ( 4.201 0.653 -0.726) 4.313 14.952 ( 5.076 0.511 0.038) 5.102 15.139 ( 1.718 0.696 -0.299) 1.878 15.174 ( 2.815 -2.581 0.474) 3.848 15.385 ( -1.519 0.458 2.011) 2.561 15.400 ( -1.208 -0.942 1.798) 2.362 15.584 ( 4.337 0.167 1.013) 4.457 15.594 ( 0.531 -1.096 2.053) 2.387 15.920 ( -0.266 4.213 -4.855) 6.433 15.982 ( 0.590 0.249 -1.141) 1.308 16.025 ( 3.905 3.434 1.597) 5.440 16.093 ( 4.743 -0.255 4.281) 6.394 16.221 ( 2.079 1.438 -1.969) 3.204 16.282 ( 7.131 -2.414 -1.091) 7.607 16.487 ( 0.804 -0.492 0.319) 0.995 16.530 ( 1.472 -3.413 -0.330) 3.731 17.108 ( -2.311 13.716 0.399) 13.915 17.223 ( 0.840 5.784 -4.240) 7.221 17.635 ( -6.013 -6.403 0.384) 8.793 17.689 ( -4.937 -8.625 -1.843) 10.107 21.125 ( 0.981 4.985 0.822) 5.146 21.170 ( 2.035 2.713 -1.154) 3.583 21.273 ( 1.926 0.393 2.066) 2.852 21.338 ( 2.516 -3.839 -1.826) 4.940 21.618 ( -2.795 6.509 1.502) 7.241 21.688 ( -1.383 4.761 -1.911) 5.314 21.774 ( -6.678 -4.526 2.474) 8.438 21.825 ( -6.411 -4.801 -1.683) 8.184 22.238 ( 1.210 1.806 0.650) 2.269 22.261 ( 1.705 0.217 0.209) 1.732 22.387 ( -1.111 0.403 -0.080) 1.185 22.417 ( -0.172 -1.949 -1.066) 2.228 22.699 ( 0.722 2.445 2.252) 3.402 22.752 ( 1.333 -2.200 -2.485) 3.576 23.022 ( -6.231 1.977 2.955) 7.174 23.077 ( -6.142 -3.096 -1.538) 7.048 23.440 ( 8.897 -1.319 -2.304) 9.285 23.476 ( 8.349 -4.746 -3.719) 10.299 24.086 ( -2.970 1.450 2.836) 4.355 24.125 ( -2.371 -2.192 1.141) 3.425 24.247 ( 0.378 0.868 -1.075) 1.432 24.260 ( 0.762 -0.282 -1.050) 1.328 24.339 ( 2.707 0.537 0.019) 2.760 24.355 ( 3.132 -0.940 0.329) 3.286 24.527 ( -2.299 3.756 3.618) 5.699 24.571 ( -0.943 -0.230 1.516) 1.800 24.742 ( -9.396 0.542 0.501) 9.425 24.763 ( -9.332 -1.217 -0.741) 9.440 25.113 ( 3.635 0.495 1.032) 3.811 25.126 ( 3.935 -0.717 1.331) 4.216 25.217 ( 4.845 2.063 -2.406) 5.790 25.263 ( 6.666 -2.330 -3.100) 7.712 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 6.119 7.652 -8.060) 12.687 1.492 ( 4.294 -2.819 -10.966) 12.109 1.627 ( -1.521 12.648 1.626) 12.842 1.784 ( -3.501 2.942 -2.114) 5.038 1.855 ( 0.668 -6.108 2.424) 6.606 1.925 ( 4.299 -7.861 0.650) 8.983 2.071 ( 1.584 0.197 -0.912) 1.839 2.108 ( 1.414 -0.705 -4.376) 4.652 2.190 ( -3.924 6.751 3.962) 8.756 2.374 ( -2.510 -6.808 3.604) 8.102 2.417 ( 3.500 -1.181 2.979) 4.746 2.443 ( 3.365 -1.098 -1.647) 3.904 2.503 ( -2.882 2.849 -3.272) 5.208 2.557 ( -1.059 -2.982 1.965) 3.725 2.580 ( 5.899 -1.240 -7.854) 9.901 2.648 ( 0.056 -4.356 -6.573) 7.885 2.768 ( -2.090 0.916 4.369) 4.929 2.823 ( -1.538 -4.555 3.845) 6.156 2.890 ( -2.015 3.527 -3.741) 5.523 2.944 ( 2.557 -1.958 -4.902) 5.866 3.164 ( -4.437 2.402 -1.075) 5.159 3.176 ( -1.756 -0.399 0.912) 2.019 3.274 ( 5.669 6.013 3.713) 9.060 3.348 ( 6.647 -0.561 2.191) 7.021 3.377 ( 1.853 6.045 4.626) 7.834 3.453 ( 1.940 1.695 2.687) 3.723 3.641 ( 2.746 4.973 -2.370) 6.155 3.674 ( 1.463 5.014 8.646) 10.101 3.754 ( -0.718 -3.914 -2.187) 4.540 3.869 ( 5.522 -7.509 2.396) 9.623 3.968 ( -3.554 7.096 5.944) 9.915 4.070 ( -4.822 -2.901 7.663) 9.507 4.204 ( 2.879 10.535 -5.912) 12.418 4.261 ( -0.893 4.787 0.503) 4.896 4.336 ( -2.389 11.025 6.157) 12.852 4.390 ( -0.140 -0.512 -1.394) 1.492 4.430 ( 1.035 -2.671 2.517) 3.813 4.553 ( -1.965 -6.952 0.934) 7.284 4.636 ( 0.910 -4.441 0.617) 4.575 4.716 ( 3.090 -11.138 -7.174) 13.604 4.781 ( -0.671 0.093 0.406) 0.790 4.804 ( -4.725 -2.621 6.831) 8.710 4.858 ( -3.604 6.650 -0.922) 7.620 4.972 ( -3.058 -3.841 -0.684) 4.957 5.174 ( -4.178 0.923 3.953) 5.825 5.214 ( -3.800 -3.675 1.843) 5.598 5.287 ( -5.516 2.078 -0.653) 5.930 5.362 ( -5.872 -4.546 -0.740) 7.462 5.490 ( 0.546 3.415 1.015) 3.604 5.503 ( 0.249 3.252 1.526) 3.601 5.547 ( 3.359 1.327 5.218) 6.346 5.621 ( 3.731 -4.881 1.295) 6.279 5.764 ( 0.836 2.442 1.490) 2.980 5.848 ( -0.562 -3.574 -1.444) 3.896 5.988 ( -3.811 7.917 -4.751) 9.989 6.098 ( -3.244 -3.374 -7.896) 9.179 6.246 ( 6.529 1.670 -0.353) 6.748 6.279 ( 8.054 0.952 -3.943) 9.017 6.351 ( 7.593 -1.286 -3.927) 8.645 6.402 ( 2.394 -7.669 -3.766) 8.873 6.517 ( -1.587 -0.795 0.142) 1.781 6.576 ( -3.401 -5.272 -1.629) 6.482 6.775 ( -2.543 2.886 -2.578) 4.631 6.818 ( -1.461 -1.563 -0.865) 2.308 6.974 ( 0.754 5.487 -0.777) 5.593 7.109 ( -0.719 -5.452 -2.531) 6.054 7.269 ( 0.135 3.059 1.780) 3.542 7.339 ( -1.279 -3.034 4.219) 5.352 7.475 ( 0.602 8.031 -2.468) 8.424 7.575 ( -2.836 0.129 3.490) 4.499 7.646 ( -3.537 -0.960 -0.068) 3.666 7.696 ( 0.691 -5.974 -6.801) 9.079 7.829 ( 6.405 2.300 -1.056) 6.887 7.884 ( 5.479 -2.560 -1.561) 6.246 8.071 ( 1.110 1.349 -3.765) 4.151 8.138 ( -0.953 -4.983 -2.176) 5.521 8.406 ( 1.994 1.917 1.098) 2.976 8.426 ( 1.632 -0.066 -0.540) 1.720 8.551 ( -5.316 3.857 0.593) 6.594 8.614 ( -3.970 -1.856 -0.133) 4.384 8.703 ( -1.659 -0.799 7.330) 7.557 8.739 ( -0.686 -1.979 4.192) 4.686 8.831 ( 1.330 2.292 -2.855) 3.895 8.913 ( 0.834 -4.079 -3.171) 5.234 9.441 ( 3.696 4.488 4.738) 7.501 9.529 ( 2.432 -3.667 3.920) 5.893 9.695 ( 2.444 4.727 -1.575) 5.549 9.772 ( -0.015 -2.489 -1.260) 2.790 9.976 ( 0.364 2.819 0.743) 2.938 10.019 ( -0.750 -0.179 1.073) 1.322 10.065 ( -2.101 0.461 0.787) 2.290 10.099 ( -2.539 -1.781 -0.562) 3.152 13.443 ( -1.673 0.662 -0.026) 1.799 13.464 ( -2.702 -1.211 -0.033) 2.961 13.500 ( -1.074 1.505 0.496) 1.915 13.533 ( -2.481 -1.585 0.314) 2.961 14.249 ( 0.468 2.774 2.596) 3.828 14.324 ( 0.698 -3.503 1.828) 4.012 14.326 ( 0.750 1.627 -1.749) 2.504 14.394 ( -0.200 -4.302 -1.994) 4.746 14.520 ( -0.924 -0.136 4.030) 4.137 14.524 ( 0.110 -0.584 3.709) 3.757 14.694 ( -3.888 1.905 -2.671) 5.088 14.720 ( -4.293 -0.552 -2.473) 4.985 15.016 ( 1.906 2.268 0.984) 3.122 15.036 ( 3.071 1.073 -1.562) 3.609 15.167 ( 1.306 -0.495 -0.646) 1.539 15.195 ( 0.023 -2.609 0.093) 2.610 15.414 ( 3.729 0.971 1.221) 4.042 15.449 ( 4.399 -2.488 -0.125) 5.056 15.586 ( -1.043 0.910 1.644) 2.149 15.624 ( -0.078 -2.955 0.133) 2.959 15.956 ( 3.996 4.060 -2.758) 6.329 16.007 ( 2.319 -0.623 -0.134) 2.405 16.086 ( 0.625 4.309 2.253) 4.902 16.149 ( -1.608 -1.221 3.108) 3.706 16.260 ( 4.794 9.262 -1.429) 10.526 16.405 ( 3.820 -1.583 -0.923) 4.237 16.516 ( 2.157 0.863 0.123) 2.327 16.579 ( 2.001 -2.633 -0.030) 3.307 17.092 ( 1.993 9.434 -0.100) 9.643 17.263 ( 3.673 -3.616 -2.810) 5.871 17.476 ( -9.387 -2.847 -2.361) 10.089 17.557 ( -8.333 -7.410 -0.520) 11.163 21.154 ( 1.765 6.438 0.914) 6.738 21.212 ( 1.733 4.819 -1.709) 5.399 21.321 ( 2.800 -1.699 1.908) 3.790 21.388 ( 2.106 -4.378 -0.739) 4.915 21.562 ( -2.516 3.916 0.647) 4.699 21.617 ( -6.396 0.639 1.264) 6.551 21.670 ( -1.457 -1.235 -1.599) 2.491 21.707 ( -5.384 -2.603 1.464) 6.157 22.254 ( 0.420 1.086 -0.022) 1.164 22.279 ( 0.052 -1.072 -0.802) 1.339 22.375 ( 0.100 1.744 0.409) 1.794 22.413 ( -0.189 -1.705 -1.012) 1.992 22.709 ( 0.189 2.842 3.736) 4.698 22.777 ( 1.009 -3.187 -2.258) 4.034 22.942 ( -2.063 1.866 0.822) 2.900 22.983 ( -3.102 -2.151 -2.379) 4.461 23.618 ( 8.972 -0.731 -1.767) 9.173 23.646 ( 8.557 -3.266 -1.674) 9.311 24.007 ( -4.877 1.073 2.108) 5.420 24.047 ( -5.425 -2.588 0.925) 6.081 24.273 ( 1.767 1.009 -0.625) 2.128 24.290 ( 1.915 -0.460 -1.496) 2.473 24.376 ( 0.336 1.221 0.145) 1.275 24.390 ( -0.459 0.266 0.839) 0.993 24.481 ( -1.251 3.330 2.939) 4.615 24.545 ( -1.882 -1.444 2.338) 3.331 24.583 ( -5.504 0.066 0.418) 5.520 24.609 ( -5.399 -1.534 -1.734) 5.875 25.185 ( 3.182 1.004 2.633) 4.250 25.209 ( 3.915 -1.165 2.725) 4.910 25.297 ( 3.032 2.515 -3.959) 5.585 25.357 ( 2.711 -3.134 -4.647) 6.226 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -11.564 7.332 -2.324) 13.888 1.543 ( 4.636 5.166 -9.220) 11.540 1.591 ( -5.028 -3.934 -4.040) 7.555 1.628 ( 9.606 -2.570 -7.289) 12.329 1.953 ( 4.013 1.361 0.359) 4.253 1.984 ( -1.066 -0.498 -2.668) 2.916 2.073 ( -2.981 3.724 3.436) 5.879 2.097 ( -2.085 1.424 3.625) 4.418 2.236 ( 4.904 -2.607 3.944) 6.812 2.279 ( -2.067 -5.483 6.237) 8.558 2.396 ( -2.121 3.938 -0.605) 4.513 2.463 ( 1.513 -1.473 -0.949) 2.315 2.526 ( -1.297 3.910 3.807) 5.610 2.556 ( -0.016 1.879 -1.896) 2.669 2.661 ( 1.927 -1.351 -11.033) 11.281 2.675 ( 1.387 -0.823 -7.142) 7.322 2.790 ( -3.045 -3.742 2.618) 5.489 2.819 ( 5.488 -5.882 1.818) 8.247 2.847 ( 1.044 -0.033 -1.317) 1.681 2.899 ( -5.790 -3.256 -3.459) 7.489 3.127 ( 1.200 -0.411 0.226) 1.289 3.130 ( -1.770 -0.787 0.211) 1.949 3.346 ( 1.713 -0.114 1.908) 2.567 3.360 ( -0.457 -1.911 0.647) 2.069 3.494 ( 5.962 5.026 4.128) 8.823 3.542 ( 1.232 0.046 1.283) 1.779 3.623 ( -9.366 5.682 0.789) 10.983 3.653 ( -3.202 2.920 -0.731) 4.395 3.859 ( 11.460 9.545 2.261) 15.085 3.862 ( -4.470 7.623 2.919) 9.306 3.937 ( -5.649 0.103 4.148) 7.009 3.988 ( 3.304 1.949 -0.214) 3.842 4.218 ( 3.205 2.673 5.359) 6.792 4.285 ( -3.788 1.124 6.994) 8.033 4.330 ( 1.331 1.266 3.572) 4.017 4.366 ( 1.596 11.407 -2.210) 11.729 4.466 ( 3.239 -8.096 6.891) 11.114 4.527 ( -0.183 -1.183 -3.172) 3.390 4.613 ( -2.533 -4.836 2.389) 5.959 4.680 ( -3.880 -1.871 3.892) 5.805 4.767 ( -0.732 -5.178 -4.776) 7.082 4.781 ( -3.753 -4.669 2.246) 6.398 4.869 ( 4.888 0.272 -3.335) 5.923 4.952 ( 2.242 -7.027 -5.129) 8.983 5.145 ( 1.236 1.699 4.600) 5.057 5.179 ( 1.745 -0.710 4.582) 4.955 5.209 ( -1.820 0.209 -1.760) 2.540 5.266 ( -2.216 -4.602 -2.510) 5.691 5.478 ( -0.076 4.294 4.096) 5.935 5.507 ( 0.386 0.906 1.119) 1.491 5.636 ( 1.896 1.826 2.071) 3.349 5.655 ( -0.282 -0.465 3.236) 3.281 5.783 ( 0.181 1.155 2.355) 2.629 5.847 ( 1.274 -3.188 -2.931) 4.514 5.947 ( 0.152 4.643 -2.708) 5.377 6.039 ( -2.189 -2.916 -8.483) 9.233 6.295 ( -3.686 1.588 1.588) 4.317 6.350 ( -1.950 -0.872 -1.551) 2.640 6.404 ( -1.727 -1.464 -1.414) 2.670 6.455 ( 0.054 -5.281 -5.610) 7.705 6.530 ( 1.165 -2.212 -2.416) 3.477 6.531 ( 5.018 -2.068 -3.729) 6.585 6.766 ( 2.087 0.475 -2.472) 3.270 6.785 ( -1.350 -0.996 -3.936) 4.279 7.036 ( 0.279 2.440 0.209) 2.464 7.054 ( -0.325 1.362 -1.591) 2.119 7.327 ( 0.563 1.216 1.433) 1.962 7.345 ( 5.638 0.226 0.634) 5.678 7.457 ( -7.326 4.189 2.786) 8.887 7.502 ( 2.061 2.158 -1.888) 3.532 7.597 ( -0.838 0.286 0.957) 1.304 7.706 ( 0.657 -6.066 -6.204) 8.702 7.907 ( 0.003 2.454 -0.677) 2.545 7.945 ( 0.490 -0.332 -2.813) 2.874 8.078 ( -3.979 -2.582 0.089) 4.744 8.106 ( 1.508 -4.218 -2.618) 5.188 8.438 ( -2.826 3.604 4.235) 6.238 8.468 ( 0.625 0.871 0.454) 1.164 8.479 ( 2.852 -1.498 1.255) 3.458 8.509 ( -2.942 -1.106 -0.572) 3.194 8.686 ( 0.040 1.902 6.652) 6.919 8.752 ( 1.047 -2.885 4.440) 5.397 8.881 ( 2.332 -0.261 -5.312) 5.807 8.915 ( -0.217 -2.746 -4.975) 5.686 9.506 ( 1.978 2.847 5.425) 6.438 9.547 ( -0.285 -0.789 2.611) 2.743 9.715 ( -1.792 1.311 1.271) 2.558 9.753 ( -0.181 -2.076 -1.220) 2.415 9.998 ( 1.094 2.017 1.774) 2.901 10.017 ( 0.476 0.105 1.168) 1.266 10.034 ( -1.263 1.263 -0.096) 1.789 10.062 ( -0.187 -1.185 -1.411) 1.852 13.430 ( -0.203 -0.178 0.036) 0.272 13.431 ( 0.123 -0.319 -0.092) 0.354 13.497 ( 0.819 0.101 0.234) 0.858 13.501 ( -0.392 -0.207 -0.067) 0.449 14.262 ( 0.744 2.775 3.109) 4.233 14.314 ( -1.193 1.079 -1.281) 2.057 14.341 ( 0.602 -3.650 1.321) 3.929 14.375 ( -1.096 -3.890 -1.281) 4.240 14.538 ( 2.121 1.087 4.357) 4.966 14.561 ( 2.414 -1.160 3.428) 4.350 14.632 ( -1.837 1.384 -2.773) 3.602 14.647 ( -2.736 -0.133 -2.811) 3.925 15.020 ( -1.082 3.122 2.449) 4.113 15.066 ( -0.135 -0.210 -0.948) 0.980 15.177 ( 0.326 0.124 -0.774) 0.848 15.216 ( 1.649 -2.362 -3.482) 4.519 15.472 ( 0.124 -0.309 1.916) 1.945 15.490 ( -1.169 -2.198 1.609) 2.964 15.578 ( 1.078 1.206 -0.724) 1.772 15.621 ( 1.051 -3.011 -3.102) 4.449 16.000 ( -4.332 4.397 5.073) 7.990 16.049 ( 0.498 0.083 2.419) 2.472 16.082 ( 0.032 1.662 -0.407) 1.711 16.099 ( 2.843 0.664 -3.192) 4.326 16.368 ( 2.549 7.723 1.315) 8.238 16.405 ( -1.807 5.216 -1.919) 5.845 16.553 ( -0.258 0.925 1.112) 1.469 16.571 ( -1.147 -0.550 -0.148) 1.281 17.203 ( 6.551 0.318 1.144) 6.658 17.250 ( -5.569 -3.513 -2.756) 7.138 17.386 ( -7.837 -2.613 -0.452) 8.274 17.423 ( 6.609 -5.915 -3.180) 9.422 21.179 ( 0.345 7.690 1.644) 7.871 21.219 ( -0.998 6.977 -1.891) 7.298 21.369 ( 1.152 -5.349 2.435) 5.989 21.391 ( -2.110 -4.949 0.298) 5.389 21.522 ( -0.825 2.183 2.050) 3.106 21.555 ( 0.737 -0.955 0.823) 1.461 21.638 ( -0.994 2.075 -0.275) 2.317 21.688 ( 3.190 -2.198 -3.070) 4.943 22.258 ( 0.054 0.259 0.263) 0.373 22.270 ( -0.600 -0.885 -0.868) 1.377 22.390 ( 1.230 1.297 -0.097) 1.790 22.411 ( 0.027 -0.615 -1.979) 2.073 22.711 ( -0.059 2.702 4.425) 5.185 22.782 ( -0.581 -3.879 -1.277) 4.125 22.924 ( -0.006 1.765 -0.295) 1.790 22.958 ( 0.431 -1.330 -2.651) 2.997 23.731 ( -1.278 0.281 0.461) 1.388 23.751 ( -0.064 -1.518 -1.494) 2.131 23.957 ( 2.618 -1.477 -0.238) 3.015 23.960 ( -0.142 -1.820 -0.528) 1.901 24.293 ( -0.777 0.684 0.973) 1.421 24.303 ( -1.693 -0.292 -0.060) 1.719 24.364 ( 0.436 1.526 0.053) 1.588 24.370 ( 1.123 1.032 -0.526) 1.614 24.491 ( 0.975 0.565 2.445) 2.692 24.506 ( -1.449 -0.931 2.274) 2.853 24.542 ( -0.813 0.428 -0.207) 0.942 24.560 ( 1.055 -1.300 -0.793) 1.853 25.223 ( 0.400 1.825 3.384) 3.866 25.262 ( 1.126 -1.787 3.375) 3.981 25.326 ( -0.127 1.478 -4.776) 5.001 25.366 ( -1.601 -2.236 -4.854) 5.579 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -6.257 10.747 0.623) 12.451 1.464 ( -1.797 -5.639 -7.748) 9.750 1.691 ( 0.462 8.358 -1.716) 8.544 1.781 ( -0.143 5.080 -2.413) 5.625 1.910 ( -8.016 -3.062 3.406) 9.232 1.962 ( 3.053 -1.631 -4.938) 6.031 1.996 ( 2.445 -3.488 2.512) 4.945 2.033 ( -6.595 -7.343 -2.278) 10.129 2.269 ( 3.995 4.929 4.711) 7.902 2.374 ( 4.426 -4.372 3.601) 7.188 2.388 ( -3.165 5.330 -1.974) 6.506 2.449 ( -5.367 -0.694 -1.898) 5.734 2.480 ( -3.742 -1.027 1.801) 4.278 2.545 ( 3.703 -2.323 -4.520) 6.288 2.621 ( -3.649 -1.977 -3.697) 5.558 2.672 ( 2.409 -4.438 -8.280) 9.698 2.771 ( -0.242 2.037 3.951) 4.452 2.846 ( -2.996 -5.290 2.091) 6.429 2.893 ( 5.346 1.696 -3.410) 6.564 2.925 ( 4.137 -2.068 -4.849) 6.701 3.115 ( 1.361 5.644 3.040) 6.553 3.174 ( 1.638 -0.100 1.645) 2.324 3.326 ( -0.567 2.706 0.423) 2.797 3.369 ( -5.549 0.680 0.549) 5.617 3.389 ( -7.337 9.151 3.679) 12.293 3.491 ( -1.403 1.936 -1.953) 3.087 3.548 ( -3.212 -1.395 4.191) 5.461 3.625 ( 0.071 -3.126 7.912) 8.508 3.815 ( 1.063 3.456 0.710) 3.684 3.842 ( -1.499 1.060 3.817) 4.235 3.973 ( 0.449 2.576 3.580) 4.434 4.082 ( -0.567 -3.539 3.616) 5.091 4.230 ( 0.231 6.135 -0.867) 6.201 4.284 ( -2.426 8.724 -3.462) 9.694 4.311 ( 2.930 2.897 2.218) 4.679 4.389 ( -2.592 0.604 2.766) 3.838 4.488 ( -2.155 4.691 0.556) 5.192 4.519 ( 1.856 -0.196 4.645) 5.006 4.647 ( 4.851 -1.445 4.824) 6.992 4.654 ( -0.556 -5.117 -7.480) 9.080 4.739 ( 4.512 -9.823 3.288) 11.299 4.772 ( 1.004 -6.277 0.012) 6.356 4.962 ( 4.149 1.503 -1.385) 4.625 5.001 ( 2.069 -2.413 -4.154) 5.231 5.193 ( 3.643 1.631 2.024) 4.475 5.225 ( 3.154 2.659 1.239) 4.307 5.284 ( 5.222 -0.992 1.527) 5.530 5.299 ( 5.941 -4.244 3.758) 8.212 5.485 ( -1.099 1.498 3.576) 4.030 5.493 ( -1.513 3.070 1.043) 3.578 5.608 ( -4.054 0.799 -0.744) 4.199 5.644 ( 1.718 -2.473 -3.143) 4.353 5.780 ( -1.166 3.140 -0.167) 3.354 5.861 ( -0.217 -4.093 0.540) 4.134 5.969 ( 1.056 2.952 1.455) 3.457 6.039 ( 2.487 -0.761 -7.126) 7.586 6.176 ( -6.687 0.760 2.550) 7.197 6.257 ( -5.328 -3.452 0.612) 6.378 6.316 ( -6.802 1.066 -4.014) 7.970 6.406 ( -3.950 -6.104 -4.499) 8.550 6.541 ( -0.652 0.475 -2.471) 2.599 6.632 ( 2.958 -6.170 -5.254) 8.627 6.809 ( 5.488 2.973 -3.947) 7.384 6.854 ( 5.440 -1.479 -3.093) 6.431 6.991 ( -0.598 3.549 -3.016) 4.695 7.061 ( -2.405 -3.238 1.434) 4.281 7.327 ( -2.444 6.500 -1.904) 7.201 7.376 ( 1.216 2.934 1.142) 3.375 7.458 ( 4.107 0.498 1.873) 4.541 7.510 ( -0.083 -6.255 0.519) 6.277 7.638 ( 3.378 2.755 0.613) 4.402 7.721 ( 0.879 -3.949 -3.503) 5.351 7.820 ( -7.579 2.019 -1.379) 7.964 7.884 ( -6.436 -3.184 -1.242) 7.287 8.027 ( -0.325 3.021 0.132) 3.041 8.123 ( -0.363 -5.107 -1.300) 5.283 8.378 ( -3.024 1.822 3.682) 5.101 8.401 ( -2.510 -0.532 1.539) 2.992 8.547 ( 3.519 1.774 1.419) 4.188 8.589 ( 4.360 -3.184 1.848) 5.706 8.695 ( 0.999 4.211 3.135) 5.344 8.764 ( 0.080 -2.731 2.447) 3.668 8.908 ( 1.385 -1.045 -5.064) 5.353 8.932 ( 2.536 -3.106 -5.655) 6.932 9.472 ( -4.684 4.344 3.014) 7.064 9.544 ( -1.592 -2.081 2.836) 3.861 9.665 ( -2.207 4.179 0.964) 4.823 9.743 ( -1.405 -2.815 0.340) 3.165 9.992 ( -0.763 3.076 -0.727) 3.252 10.030 ( 1.218 1.058 0.398) 1.662 10.054 ( 2.596 -0.326 1.862) 3.212 10.090 ( 2.174 -2.566 0.052) 3.363 13.442 ( 1.660 0.815 0.028) 1.849 13.461 ( 2.439 -0.850 0.194) 2.590 13.512 ( 1.644 0.843 -0.556) 1.930 13.536 ( 2.663 -1.306 0.080) 2.967 14.273 ( 0.064 2.589 2.472) 3.580 14.293 ( -0.846 1.793 -0.725) 2.111 14.345 ( -0.331 -3.973 2.146) 4.528 14.360 ( -0.352 -4.412 -1.176) 4.579 14.559 ( -0.133 0.839 1.689) 1.890 14.580 ( 0.315 -0.953 1.246) 1.600 14.643 ( 2.966 1.446 -0.783) 3.391 14.662 ( 4.003 -0.386 1.117) 4.174 14.986 ( -2.334 2.369 1.647) 3.711 15.032 ( -3.081 -1.757 0.199) 3.552 15.191 ( 0.304 2.035 -2.951) 3.597 15.226 ( -0.932 -0.793 -1.268) 1.762 15.418 ( -4.974 -1.247 2.137) 5.555 15.439 ( -1.326 -3.235 -1.162) 3.685 15.618 ( 1.739 0.506 -1.430) 2.307 15.646 ( 0.465 -2.199 -1.072) 2.491 15.890 ( -5.128 6.274 3.158) 8.696 15.991 ( -3.268 -3.273 1.253) 4.792 16.089 ( -1.257 7.417 1.718) 7.716 16.197 ( 3.792 -1.467 -1.884) 4.482 16.277 ( -6.406 7.082 -1.772) 9.713 16.402 ( -3.449 -1.343 -0.640) 3.756 16.500 ( -2.317 0.745 1.148) 2.692 16.554 ( -2.551 -2.677 2.067) 4.236 17.121 ( -2.657 8.015 -2.579) 8.829 17.249 ( -3.785 0.735 -1.914) 4.305 17.427 ( 10.249 -1.168 1.436) 10.415 17.578 ( 7.893 -10.960 -1.824) 13.629 21.164 ( -1.433 6.732 0.930) 6.945 21.185 ( -2.160 5.604 -0.375) 6.018 21.331 ( -3.383 -3.031 1.629) 4.825 21.349 ( -2.400 -5.073 1.827) 5.902 21.551 ( 3.144 3.523 1.143) 4.858 21.622 ( 4.531 -2.825 2.476) 5.886 21.664 ( 3.736 5.710 -3.178) 7.528 21.782 ( 6.040 -4.758 -3.843) 8.596 22.252 ( -0.640 0.335 0.459) 0.856 22.264 ( -0.287 -0.879 0.208) 0.947 22.403 ( -0.038 1.259 -1.982) 2.348 22.424 ( 1.237 -0.430 -2.069) 2.449 22.705 ( -0.751 2.056 3.763) 4.353 22.759 ( -1.421 -3.044 -0.028) 3.359 22.946 ( 2.580 1.891 -0.229) 3.207 22.994 ( 3.348 -2.283 -2.728) 4.885 23.602 ( -8.911 -0.167 -0.510) 8.928 23.639 ( -8.474 -3.531 -1.269) 9.268 24.052 ( 6.351 -0.045 -1.720) 6.580 24.068 ( 5.988 -1.430 -0.698) 6.196 24.254 ( -2.661 0.248 1.128) 2.901 24.258 ( -1.997 -0.132 1.175) 2.321 24.375 ( -0.925 1.557 0.262) 1.830 24.401 ( -0.521 -0.687 -0.161) 0.877 24.496 ( 2.139 2.402 2.290) 3.948 24.531 ( 2.277 -0.494 3.093) 3.872 24.568 ( 4.819 1.960 0.062) 5.203 24.621 ( 5.319 -2.649 -1.424) 6.111 25.200 ( -2.651 2.117 2.506) 4.218 25.244 ( -3.051 -1.962 1.795) 4.047 25.289 ( -3.604 0.272 -3.784) 5.233 25.306 ( -3.940 -1.112 -3.077) 5.121 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.572 13.765 4.940) 14.636 1.461 ( -0.875 -4.123 -8.453) 9.445 1.506 ( -13.856 9.764 7.481) 18.528 1.626 ( -11.209 2.194 -6.714) 13.249 1.827 ( -0.609 -1.259 1.406) 1.984 1.901 ( 0.915 -7.070 -1.397) 7.265 2.069 ( -2.547 -0.210 -5.798) 6.336 2.122 ( 1.983 -5.905 -6.176) 8.772 2.264 ( 0.697 0.050 5.590) 5.634 2.291 ( 1.507 0.661 0.932) 1.891 2.343 ( -5.128 -3.705 3.584) 7.271 2.399 ( -0.697 -8.143 -1.806) 8.370 2.524 ( 1.989 1.092 -1.642) 2.801 2.579 ( -2.728 0.263 -6.742) 7.278 2.597 ( 2.087 -3.748 0.539) 4.324 2.653 ( -3.599 -3.902 -5.050) 7.327 2.809 ( 3.746 4.230 3.856) 6.840 2.852 ( 6.134 -0.341 3.808) 7.228 2.992 ( 3.284 2.547 -2.160) 4.684 3.007 ( 3.341 0.976 -6.140) 7.058 3.143 ( 1.177 9.017 6.492) 11.173 3.193 ( -3.941 7.839 1.648) 8.927 3.227 ( -1.096 1.367 -0.644) 1.867 3.264 ( -2.459 3.958 -3.618) 5.899 3.365 ( -0.568 4.034 2.567) 4.815 3.468 ( -4.127 -2.233 1.248) 4.856 3.539 ( 4.031 -3.086 4.659) 6.890 3.617 ( -0.321 -4.542 8.456) 9.604 3.845 ( 1.643 1.381 7.712) 8.005 3.876 ( 3.044 1.112 -1.673) 3.647 3.964 ( -0.694 -1.300 7.620) 7.762 4.027 ( -3.375 -2.912 7.212) 8.478 4.154 ( -4.421 4.132 -0.329) 6.060 4.225 ( -5.577 1.350 -6.035) 8.327 4.274 ( -3.992 -1.892 -3.536) 5.658 4.392 ( 2.873 -2.036 -4.582) 5.779 4.492 ( 2.260 7.932 4.120) 9.220 4.578 ( 2.548 0.496 0.601) 2.664 4.691 ( 3.789 1.297 -6.468) 7.608 4.720 ( 1.535 0.486 6.469) 6.667 4.808 ( 2.393 -2.192 5.502) 6.388 4.838 ( 3.111 -5.103 -3.420) 6.885 5.034 ( 2.935 0.873 1.668) 3.486 5.043 ( 3.380 0.298 -0.836) 3.495 5.207 ( -5.423 4.216 2.715) 7.386 5.243 ( -2.470 0.303 0.373) 2.516 5.372 ( 4.027 -1.333 1.494) 4.497 5.413 ( 3.178 -3.537 2.784) 5.510 5.434 ( 0.513 3.198 -2.745) 4.245 5.480 ( 1.201 -1.024 0.052) 1.579 5.626 ( 5.309 2.420 -0.025) 5.834 5.706 ( 3.952 -4.588 -6.930) 9.203 5.755 ( 0.141 4.555 0.249) 4.564 5.838 ( -2.624 1.072 -1.934) 3.432 5.956 ( -3.358 0.238 7.483) 8.206 6.034 ( -7.368 -1.185 3.549) 8.263 6.095 ( 1.437 -0.895 -3.773) 4.135 6.180 ( -2.074 -7.315 -0.763) 7.642 6.210 ( -1.878 4.879 -6.006) 7.962 6.316 ( -4.316 -4.181 -6.858) 9.118 6.545 ( 1.653 -0.028 -0.197) 1.665 6.667 ( 0.608 -9.310 -3.606) 10.002 6.925 ( 1.395 0.123 -4.407) 4.624 6.937 ( 3.811 -0.997 -5.326) 6.624 6.987 ( 2.494 5.211 0.615) 5.809 7.070 ( 4.224 -1.118 -1.361) 4.576 7.266 ( -3.110 4.481 3.380) 6.416 7.384 ( -2.931 -3.720 0.601) 4.774 7.478 ( 0.366 -1.637 2.085) 2.676 7.538 ( -0.035 -5.545 -3.779) 6.710 7.650 ( -3.429 3.008 -1.094) 4.691 7.709 ( -0.951 1.198 -0.707) 1.685 7.719 ( -1.647 -0.171 1.081) 1.977 7.778 ( -2.226 -2.813 1.227) 3.791 8.037 ( 0.938 2.591 -1.344) 3.066 8.096 ( -1.800 -2.190 -1.915) 3.421 8.339 ( -0.586 2.207 3.444) 4.132 8.378 ( -0.103 -1.303 0.560) 1.422 8.589 ( 0.546 1.314 2.220) 2.637 8.617 ( -0.787 -1.272 1.408) 2.055 8.730 ( 1.742 0.026 -0.459) 1.801 8.754 ( -1.106 -2.598 1.313) 3.114 8.963 ( 4.492 1.958 -4.093) 6.385 9.021 ( 5.459 -3.089 -3.370) 7.120 9.357 ( -6.003 6.060 2.340) 8.845 9.458 ( -6.675 -3.627 1.554) 7.754 9.646 ( 0.174 5.722 -0.081) 5.725 9.706 ( -2.052 -0.295 0.146) 2.078 10.001 ( 1.441 4.153 0.330) 4.408 10.046 ( 0.262 2.257 0.281) 2.290 10.113 ( 2.902 -3.542 0.463) 4.602 10.128 ( 1.422 -3.448 1.139) 3.900 13.485 ( 2.383 1.844 0.141) 3.016 13.512 ( 2.162 0.299 0.352) 2.211 13.553 ( 2.324 -0.304 -0.831) 2.486 13.584 ( 1.710 -2.268 0.154) 2.844 14.264 ( -0.813 2.331 1.130) 2.715 14.275 ( -0.890 2.497 -0.544) 2.706 14.328 ( -1.217 -3.883 2.306) 4.677 14.356 ( -0.296 -4.996 -1.658) 5.272 14.578 ( 2.071 0.798 2.945) 3.688 14.606 ( 2.463 -1.863 1.729) 3.539 14.725 ( 4.553 1.477 0.468) 4.809 14.746 ( 4.055 -0.567 1.186) 4.262 14.935 ( -2.590 1.004 0.269) 2.791 14.959 ( -4.020 -1.269 -0.328) 4.228 15.144 ( -3.753 1.711 -0.476) 4.152 15.186 ( -3.705 -1.744 -0.587) 4.137 15.376 ( 2.008 2.667 0.871) 3.450 15.455 ( 2.600 -5.006 -0.986) 5.727 15.602 ( -4.913 -0.070 0.347) 4.925 15.615 ( -2.673 -1.555 0.198) 3.099 15.848 ( 1.037 6.092 1.353) 6.326 15.951 ( -0.535 -3.434 1.592) 3.823 16.031 ( -3.970 8.281 0.276) 9.188 16.159 ( -4.461 6.772 -1.320) 8.216 16.200 ( -3.814 -6.326 -0.037) 7.386 16.293 ( -6.313 -4.388 -2.051) 7.957 16.484 ( 0.622 -0.313 0.436) 0.821 16.507 ( -1.260 -2.055 1.664) 2.929 17.124 ( 1.686 13.315 -0.776) 13.444 17.212 ( -0.488 8.090 -3.656) 8.891 17.603 ( 7.093 -4.863 2.037) 8.838 17.703 ( 4.562 -11.278 -1.859) 12.307 21.139 ( -1.166 5.112 0.815) 5.306 21.146 ( -1.327 4.055 -0.438) 4.289 21.274 ( -2.229 -1.307 3.006) 3.964 21.310 ( -1.297 -4.018 -0.428) 4.244 21.617 ( 3.004 5.139 1.346) 6.103 21.680 ( 1.807 3.755 0.088) 4.168 21.773 ( 5.779 0.203 -0.952) 5.860 21.897 ( 4.978 -6.761 -5.343) 9.952 22.236 ( -0.992 0.938 1.018) 1.703 22.246 ( -1.594 -0.108 1.369) 2.104 22.400 ( -0.079 1.611 -1.443) 2.164 22.438 ( 0.097 -1.611 -2.775) 3.210 22.687 ( -0.736 2.194 2.856) 3.676 22.738 ( -0.681 -2.548 -0.554) 2.695 23.035 ( 6.446 1.150 1.609) 6.742 23.085 ( 5.675 -3.365 -1.785) 6.835 23.429 ( -8.324 -0.797 -2.033) 8.606 23.471 ( -8.371 -4.361 -3.066) 9.925 24.145 ( 1.972 -0.065 -1.588) 2.533 24.148 ( 1.665 -0.358 -1.554) 2.305 24.216 ( -0.080 0.613 1.655) 1.766 24.232 ( 0.195 -0.839 1.466) 1.700 24.333 ( -2.783 0.952 0.554) 2.993 24.355 ( -3.122 -1.034 0.325) 3.305 24.543 ( 1.654 2.312 2.996) 4.130 24.562 ( 1.192 0.681 1.627) 2.128 24.737 ( 10.543 1.084 0.580) 10.614 24.765 ( 8.607 -1.377 -0.616) 8.738 25.133 ( -3.704 1.164 0.166) 3.886 25.157 ( -5.136 -0.983 -0.846) 5.297 25.197 ( -4.997 0.606 -1.431) 5.233 25.217 ( -5.225 -0.956 0.144) 5.313 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23400 10.0 228.469 296.756 168.613 0.000 12.775 0.000 3/23400 20.0 50.310 65.745 31.499 0.000 0.133 0.000 3/23400 30.0 21.564 27.033 14.057 0.000 -0.323 0.000 3/23400 40.0 12.751 15.520 8.809 0.000 -0.269 0.000 3/23400 50.0 8.895 10.614 6.411 0.000 -0.216 0.000 3/23400 60.0 6.819 8.027 5.062 0.000 -0.182 0.000 3/23400 70.0 5.543 6.463 4.203 0.000 -0.160 0.000 3/23400 80.0 4.685 5.423 3.607 0.000 -0.144 0.000 3/23400 90.0 4.067 4.682 3.168 0.000 -0.133 0.000 3/23400 100.0 3.601 4.127 2.829 0.000 -0.123 0.000 3/23400 110.0 3.236 3.695 2.558 0.000 -0.116 0.000 3/23400 120.0 2.941 3.348 2.337 0.000 -0.109 0.000 3/23400 130.0 2.697 3.063 2.151 0.000 -0.103 0.000 3/23400 140.0 2.493 2.824 1.994 0.000 -0.097 0.000 3/23400 150.0 2.319 2.621 1.858 0.000 -0.092 0.000 3/23400 160.0 2.168 2.446 1.740 0.000 -0.087 0.000 3/23400 170.0 2.037 2.294 1.637 0.000 -0.083 0.000 3/23400 180.0 1.922 2.160 1.545 0.000 -0.079 0.000 3/23400 190.0 1.820 2.042 1.464 0.000 -0.076 0.000 3/23400 200.0 1.729 1.936 1.391 0.000 -0.073 0.000 3/23400 210.0 1.646 1.841 1.325 0.000 -0.070 0.000 3/23400 220.0 1.572 1.756 1.265 0.000 -0.067 0.000 3/23400 230.0 1.505 1.678 1.210 0.000 -0.064 0.000 3/23400 240.0 1.444 1.607 1.161 0.000 -0.062 0.000 3/23400 250.0 1.387 1.542 1.115 0.000 -0.060 0.000 3/23400 260.0 1.335 1.482 1.073 0.000 -0.058 0.000 3/23400 270.0 1.287 1.427 1.034 0.000 -0.056 0.000 3/23400 280.0 1.243 1.376 0.998 0.000 -0.054 0.000 3/23400 290.0 1.202 1.328 0.964 0.000 -0.052 0.000 3/23400 300.0 1.163 1.284 0.933 0.000 -0.051 0.000 3/23400 310.0 1.127 1.243 0.903 0.000 -0.049 0.000 3/23400 320.0 1.094 1.204 0.876 0.000 -0.048 0.000 3/23400 330.0 1.062 1.168 0.850 0.000 -0.046 0.000 3/23400 340.0 1.032 1.134 0.826 0.000 -0.045 0.000 3/23400 350.0 1.004 1.102 0.803 0.000 -0.044 0.000 3/23400 360.0 0.977 1.071 0.781 0.000 -0.043 0.000 3/23400 370.0 0.952 1.043 0.761 0.000 -0.042 0.000 3/23400 380.0 0.928 1.015 0.741 0.000 -0.040 0.000 3/23400 390.0 0.905 0.990 0.723 0.000 -0.040 0.000 3/23400 400.0 0.884 0.965 0.705 0.000 -0.039 0.000 3/23400 410.0 0.863 0.942 0.688 0.000 -0.038 0.000 3/23400 420.0 0.844 0.920 0.673 0.000 -0.037 0.000 3/23400 430.0 0.825 0.898 0.657 0.000 -0.036 0.000 3/23400 440.0 0.807 0.878 0.643 0.000 -0.035 0.000 3/23400 450.0 0.790 0.859 0.629 0.000 -0.034 0.000 3/23400 460.0 0.773 0.841 0.616 0.000 -0.034 0.000 3/23400 470.0 0.758 0.823 0.603 0.000 -0.033 0.000 3/23400 480.0 0.743 0.806 0.591 0.000 -0.032 0.000 3/23400 490.0 0.728 0.790 0.579 0.000 -0.032 0.000 3/23400 500.0 0.714 0.774 0.568 0.000 -0.031 0.000 3/23400 510.0 0.701 0.759 0.557 0.000 -0.031 0.000 3/23400 520.0 0.688 0.745 0.546 0.000 -0.030 0.000 3/23400 530.0 0.675 0.731 0.536 0.000 -0.029 0.000 3/23400 540.0 0.663 0.717 0.527 0.000 -0.029 0.000 3/23400 550.0 0.652 0.704 0.517 0.000 -0.028 0.000 3/23400 560.0 0.641 0.692 0.508 0.000 -0.028 0.000 3/23400 570.0 0.630 0.680 0.500 0.000 -0.027 0.000 3/23400 580.0 0.619 0.668 0.491 0.000 -0.027 0.000 3/23400 590.0 0.609 0.657 0.483 0.000 -0.027 0.000 3/23400 600.0 0.599 0.646 0.475 0.000 -0.026 0.000 3/23400 610.0 0.590 0.636 0.468 0.000 -0.026 0.000 3/23400 620.0 0.581 0.626 0.460 0.000 -0.025 0.000 3/23400 630.0 0.572 0.616 0.453 0.000 -0.025 0.000 3/23400 640.0 0.563 0.606 0.446 0.000 -0.025 0.000 3/23400 650.0 0.555 0.597 0.439 0.000 -0.024 0.000 3/23400 660.0 0.547 0.588 0.433 0.000 -0.024 0.000 3/23400 670.0 0.539 0.579 0.427 0.000 -0.023 0.000 3/23400 680.0 0.531 0.571 0.420 0.000 -0.023 0.000 3/23400 690.0 0.524 0.563 0.414 0.000 -0.023 0.000 3/23400 700.0 0.516 0.555 0.409 0.000 -0.022 0.000 3/23400 710.0 0.509 0.547 0.403 0.000 -0.022 0.000 3/23400 720.0 0.502 0.540 0.398 0.000 -0.022 0.000 3/23400 730.0 0.496 0.532 0.392 0.000 -0.022 0.000 3/23400 740.0 0.489 0.525 0.387 0.000 -0.021 0.000 3/23400 750.0 0.483 0.518 0.382 0.000 -0.021 0.000 3/23400 760.0 0.477 0.511 0.377 0.000 -0.021 0.000 3/23400 770.0 0.471 0.505 0.372 0.000 -0.020 0.000 3/23400 780.0 0.465 0.498 0.367 0.000 -0.020 0.000 3/23400 790.0 0.459 0.492 0.363 0.000 -0.020 0.000 3/23400 800.0 0.454 0.486 0.358 0.000 -0.020 0.000 3/23400 810.0 0.448 0.480 0.354 0.000 -0.019 0.000 3/23400 820.0 0.443 0.474 0.350 0.000 -0.019 0.000 3/23400 830.0 0.438 0.469 0.346 0.000 -0.019 0.000 3/23400 840.0 0.432 0.463 0.342 0.000 -0.019 0.000 3/23400 850.0 0.427 0.458 0.338 0.000 -0.019 0.000 3/23400 860.0 0.423 0.452 0.334 0.000 -0.018 0.000 3/23400 870.0 0.418 0.447 0.330 0.000 -0.018 0.000 3/23400 880.0 0.413 0.442 0.326 0.000 -0.018 0.000 3/23400 890.0 0.409 0.437 0.323 0.000 -0.018 0.000 3/23400 900.0 0.404 0.432 0.319 0.000 -0.018 0.000 3/23400 910.0 0.400 0.428 0.316 0.000 -0.017 0.000 3/23400 920.0 0.396 0.423 0.312 0.000 -0.017 0.000 3/23400 930.0 0.391 0.419 0.309 0.000 -0.017 0.000 3/23400 940.0 0.387 0.414 0.306 0.000 -0.017 0.000 3/23400 950.0 0.383 0.410 0.303 0.000 -0.017 0.000 3/23400 960.0 0.379 0.406 0.300 0.000 -0.016 0.000 3/23400 970.0 0.376 0.401 0.296 0.000 -0.016 0.000 3/23400 980.0 0.372 0.397 0.293 0.000 -0.016 0.000 3/23400 990.0 0.368 0.393 0.291 0.000 -0.016 0.000 3/23400 1000.0 0.365 0.389 0.288 0.000 -0.016 0.000 3/23400 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:17:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|